scnc
/
quantum-espresso
mirror of https://gitlab.com/QEF/q-e.git
1
0
Fork 0
Code Issues Packages Projects Releases Wiki Activity

Removed all pseudopotential files that are also available in the web site. 

All tests and examples should automatically download them if needed. There
are still a few PPs that cannot be found in the web site, notably PAWsets


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7430 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
giannozz 2011-01-22 14:35:42 +00:00
parent aef08c501a
commit 0049a2625d
27 changed files with 0 additions and 114459 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

1077
pseudo/As.pz-bhs.UPF
View File

File diff suppressed because it is too large Load Diff

2983
pseudo/C.pbe-rrkjus.UPF
View File

File diff suppressed because it is too large Load Diff

3575
pseudo/C.pbe-van_bm.UPF
View File

File diff suppressed because it is too large Load Diff

6737
pseudo/C.pz-rrkjus.UPF
View File

File diff suppressed because it is too large Load Diff

525
pseudo/C.pz-vbc.UPF
View File

@ -1,525 +0,0 @@
<PP_INFO>
Generated using ld1 code
Author: P. Giannozzi Generation date: 1990
Info: C LDA 2s2 2p2 VonBarth-Car, l=1 local
0 The Pseudo was generated with a Non-Relativistic Calculation
0.00000000000E+00 Local Potential cutoff radius
nl pn l occ Rcut Rcut US E pseu
2S 0 0 2.00 0.00000000000 0.00000000000 0.00000000000
2P 0 1 2.00 0.00000000000 0.00000000000 0.00000000000
</PP_INFO>
<PP_HEADER>
0 Version Number
C Element
NC Norm - Conserving pseudopotential
F Nonlinear Core Correction
SLA PZ NOGX NOGC PZ Exchange-Correlation functional
4.00000000000 Z valence
0.00000000000 Total energy
0.0000000 0.0000000 Suggested cutoff for wfc and rho
0 Max angular momentum component
269 Number of points in mesh
2 1 Number of Wavefunctions, Number of Projectors
Wavefunctions nl l occ
2S 0 2.00
2P 1 2.00
</PP_HEADER>
<PP_MESH>
<PP_R>
5.61495583257E-04 5.87340023303E-04 6.14374027614E-04 6.42652349289E-04
6.72232261592E-04 7.03173673954E-04 7.35539253311E-04 7.69394551019E-04
8.04808135628E-04 8.41851731748E-04 8.80600365321E-04 9.21132515572E-04
9.63530273956E-04 1.00787951042E-03 1.05427004733E-03 1.10279584138E-03
1.15355517387E-03 1.20665084981E-03 1.26219040609E-03 1.32028632928E-03
1.38105628348E-03 1.44462334862E-03 1.51111626973E-03 1.58066971770E-03
1.65342456203E-03 1.72952815614E-03 1.80913463582E-03 1.89240523139E-03
1.97950859428E-03 2.07062113854E-03 2.16592739823E-03 2.26562040109E-03
2.36990205952E-03 2.47898357951E-03 2.59308588842E-03 2.71244008243E-03
2.83728789455E-03 2.96788218428E-03 3.10448744968E-03 3.24738036311E-03
3.39685033153E-03 3.55320008272E-03 3.71674627836E-03 3.88782015537E-03
4.06676819683E-03 4.25395283368E-03 4.44975317877E-03 4.65456579471E-03
4.86880549704E-03 5.09290619438E-03 5.32732176723E-03 5.57252698722E-03
5.82901847872E-03 6.09731572467E-03 6.37796211866E-03 6.67152606556E-03
6.97860213268E-03 7.29981225400E-03 7.63580698979E-03 7.98726684421E-03
8.35490364357E-03 8.73946197802E-03 9.14172070963E-03 9.56249454977E-03
1.00026357093E-02 1.04630356244E-02 1.09446267624E-02 1.14483845097E-02
1.19753291481E-02 1.25265279205E-02 1.31030971928E-02 1.37062047148E-02
1.43370719853E-02 1.49969767261E-02 1.56872554699E-02 1.64093062670E-02
1.71645915171E-02 1.79546409308E-02 1.87810546283E-02 1.96455063797E-02
2.05497469951E-02 2.14956078710E-02 2.24850046987E-02 2.35199413450E-02
2.46025139103E-02 2.57349149740E-02 2.69194380352E-02 2.81584821579E-02
2.94545568299E-02 3.08102870453E-02 3.22284186212E-02 3.37118237586E-02
3.52635068598E-02 3.68866106134E-02 3.85844223593E-02 4.03603807463E-02
4.22180826971E-02 4.41612906931E-02 4.61939403945E-02 4.83201486117E-02
5.05442216427E-02 5.28706639957E-02 5.53041875114E-02 5.78497209065E-02
6.05124197561E-02 6.32976769354E-02 6.62111335419E-02 6.92586903210E-02
7.24465196166E-02 7.57810778724E-02 7.92691187084E-02 8.29177065994E-02
8.67342311827E-02 9.07264222249E-02 9.49023652771E-02 9.92705180510E-02
1.03839727549E-01 1.08619247982E-01 1.13618759511E-01 1.18848387857E-01
1.24318724803E-01 1.30040849653E-01 1.36026351663E-01 1.42287353521E-01
1.48836535896E-01 1.55687163119E-01 1.62853110053E-01 1.70348890188E-01
1.78189685041E-01 1.86391374902E-01 1.94970570994E-01 2.03944649122E-01
2.13331784861E-01 2.23150990368E-01 2.33422152892E-01 2.44166075044E-01
2.55404516941E-01 2.67160240267E-01 2.79457054379E-01 2.92319864529E-01
3.05774722302E-01 3.19848878383E-01 3.34570837750E-01 3.49970417399E-01
3.66078806743E-01 3.82928630776E-01 4.00554016148E-01 4.18990660289E-01
4.38275903704E-01 4.58448805601E-01 4.79550223000E-01 5.01622893484E-01
5.24711521752E-01 5.48862870168E-01 5.74125853465E-01 6.00551637818E-01
6.28193744472E-01 6.57108158138E-01 6.87353440386E-01 7.18990848247E-01
7.52084458286E-01 7.86701296372E-01 8.22911473431E-01 8.60788327447E-01
9.00408571994E-01 9.41852451607E-01 9.85203904304E-01 1.03055073159E+00
1.07798477630E+00 1.12760210856E+00 1.17950322045E+00 1.23379322944E+00
1.29058209136E+00 1.34998482306E+00 1.41212173538E+00 1.47711867679E+00
1.54510728831E+00 1.61622527012E+00 1.69061666044E+00 1.76843212724E+00
1.84982927345E+00 1.93497295611E+00 2.02403562026E+00 2.11719764824E+00
2.21464772499E+00 2.31658322022E+00 2.42321058815E+00 2.53474578563E+00
2.65141470956E+00 2.77345365437E+00 2.90110979063E+00 3.03464166566E+00
3.17431972712E+00 3.32042687082E+00 3.47325901367E+00 3.63312569298E+00
3.80035069340E+00 3.97527270272E+00 4.15824599778E+00 4.34964116204E+00
4.54984583610E+00 4.75926550285E+00 4.97832430868E+00 5.20746592254E+00
5.44715443450E+00 5.69787529571E+00 5.96013630160E+00 6.23446862033E+00
6.52142786859E+00 6.82159523693E+00 7.13557866685E+00 7.46401408210E+00
7.80756667662E+00 8.16693226184E+00 8.54283867587E+00 8.93604725767E+00
9.34735438898E+00 9.77759310732E+00 1.02276347931E+01 1.06983909346E+01
1.11908149737E+01 1.17059042376E+01 1.22447019580E+01 1.28082993843E+01
1.33978379941E+01 1.40145118043E+01 1.46595697903E+01 1.53343184150E+01
1.60401242748E+01 1.67784168678E+01 1.75506914889E+01 1.83585122580E+01
1.92035152884E+01 2.00874119998E+01 2.10119925853E+01 2.19791296364E+01
2.29907819362E+01 2.40489984264E+01 2.51559223569E+01 2.63137956270E+01
2.75249633258E+01 2.87918784818E+01 3.01171070310E+01 3.15033330143E+01
3.29533640129E+01 3.44701368353E+01 3.60567234645E+01 3.77163372809E+01
3.94523395696E+01 4.12682463283E+01 4.31677353890E+01 4.51546538661E+01
4.72330259485E+01 4.94070610499E+01 5.16811623344E+01 5.40599356342E+01
5.65481987783E+01 5.91509913497E+01 6.18735848931E+01 6.47214935906E+01
6.77004854306E+01 7.08165938898E+01 7.40761301526E+01 7.74856958938E+01
8.10521966493E+01 8.47828558020E+01 8.86852292115E+01 9.27672205176E+01
9.70370971477E+01
</PP_R>
<PP_RAB>
2.52673012466E-05 2.64303010486E-05 2.76468312426E-05 2.89193557180E-05
3.02504517716E-05 3.16428153279E-05 3.30992663990E-05 3.46227547959E-05
3.62163661033E-05 3.78833279287E-05 3.96270164394E-05 4.14509632007E-05
4.33588623280E-05 4.53545779690E-05 4.74421521300E-05 4.96258128620E-05
5.19099828243E-05 5.42992882416E-05 5.67985682739E-05 5.94128848175E-05
6.21475327566E-05 6.50080506880E-05 6.80002321380E-05 7.11301372966E-05
7.44041052914E-05 7.78287670264E-05 8.14110586119E-05 8.51582354127E-05
8.90778867424E-05 9.31779512343E-05 9.74667329203E-05 1.01952918049E-04
1.06645592678E-04 1.11554261078E-04 1.16688864979E-04 1.22059803709E-04
1.27677955255E-04 1.33554698293E-04 1.39701935236E-04 1.46132116340E-04
1.52858264919E-04 1.59894003722E-04 1.67253582526E-04 1.74951906992E-04
1.83004568858E-04 1.91427877516E-04 2.00238893044E-04 2.09455460762E-04
2.19096247367E-04 2.29180778747E-04 2.39729479525E-04 2.50763714425E-04
2.62305831542E-04 2.74379207610E-04 2.87008295340E-04 3.00218672950E-04
3.14037095971E-04 3.28491551430E-04 3.43611314541E-04 3.59427007989E-04
3.75970663961E-04 3.93275789011E-04 4.11377431933E-04 4.30312254740E-04
4.50118606918E-04 4.70836603099E-04 4.92508204307E-04 5.15177302939E-04
5.38889811666E-04 5.63693756424E-04 5.89639373676E-04 6.16779212164E-04
6.45168239336E-04 6.74863952674E-04 7.05926496145E-04 7.38418782016E-04
7.72406618268E-04 8.07958841887E-04 8.45147458273E-04 8.84047787084E-04
9.24738614781E-04 9.67302354194E-04 1.01182521144E-03 1.05839736053E-03
1.10711312597E-03 1.15807117383E-03 1.21137471158E-03 1.26713169711E-03
1.32545505735E-03 1.38646291704E-03 1.45027883795E-03 1.51703206914E-03
1.58685780869E-03 1.65989747761E-03 1.73629900617E-03 1.81621713358E-03
1.89981372137E-03 1.98725808119E-03 2.07872731775E-03 2.17440668752E-03
2.27448997392E-03 2.37917987981E-03 2.48868843801E-03 2.60323744079E-03
2.72305888903E-03 2.84839546209E-03 2.97950100939E-03 3.11664106445E-03
3.26009338275E-03 3.41014850426E-03 3.56711034188E-03 3.73129679697E-03
3.90304040322E-03 4.08268900012E-03 4.27060643747E-03 4.46717331230E-03
4.67278773970E-03 4.88786615917E-03 5.11284417800E-03 5.34817745356E-03
5.59434261615E-03 5.85183823437E-03 6.12118582483E-03 6.40293090845E-03
6.69764411531E-03 7.00592234037E-03 7.32838995238E-03 7.66570005847E-03
8.01853582686E-03 8.38761187057E-03 8.77367569472E-03 9.17750921048E-03
9.59993031873E-03 1.00417945666E-02 1.05039968801E-02 1.09874733770E-02
1.14932032623E-02 1.20222108120E-02 1.25755674471E-02 1.31543939038E-02
1.37598625036E-02 1.43931995272E-02 1.50556876987E-02 1.57486687830E-02
1.64735463034E-02 1.72317883849E-02 1.80249307267E-02 1.88545797130E-02
1.97224156667E-02 2.06301962520E-02 2.15797600350E-02 2.25730302068E-02
2.36120184788E-02 2.46988291576E-02 2.58356634059E-02 2.70248237018E-02
2.82687185012E-02 2.95698671162E-02 3.09309048173E-02 3.23545881711E-02
3.38438006229E-02 3.54015583367E-02 3.70310163044E-02 3.87354747351E-02
4.05183857397E-02 4.23833603223E-02 4.43341756937E-02 4.63747829217E-02
4.85093149333E-02 5.07420948853E-02 5.30776449202E-02 5.55206953248E-02
5.80761941113E-02 6.07493170379E-02 6.35454780920E-02 6.64703404555E-02
6.95298279741E-02 7.27301371555E-02 7.60777497197E-02 7.95794457259E-02
8.32423173054E-02 8.70737830248E-02 9.10816029116E-02 9.52738941707E-02
9.96591476245E-02 1.04246244910E-01 1.09044476467E-01 1.14063560353E-01
1.19313661930E-01 1.24805414447E-01 1.30549940579E-01 1.36558874955E-01
1.42844387720E-01 1.49419209187E-01 1.56296655615E-01 1.63490656184E-01
1.71015781203E-01 1.78887271623E-01 1.87121069900E-01 1.95733852292E-01
2.04743062624E-01 2.14166947628E-01 2.24024593891E-01 2.34335966514E-01
2.45121949553E-01 2.56404388307E-01 2.68206133572E-01 2.80551087915E-01
2.93464254087E-01 3.06971785662E-01 3.21101040008E-01 3.35880633694E-01
3.51340500448E-01 3.67511951783E-01 3.84427740414E-01 4.02122126595E-01
4.20630947504E-01 4.39991689829E-01 4.60243565690E-01 4.81427592055E-01
5.03586673819E-01 5.26765690693E-01 5.51011588109E-01 5.76373472294E-01
6.02902709732E-01 6.30653031194E-01 6.59680640565E-01 6.90044328674E-01
7.21805592365E-01 7.55028759051E-01 7.89781117000E-01 8.26133051612E-01
8.64158187977E-01 9.03933539993E-01 9.45539666338E-01 9.89060833639E-01
1.03458518713E+00 1.08220492919E+00 1.13201650606E+00 1.18412080322E+00
1.23862334966E+00 1.29563453168E+00 1.35526981640E+00 1.41764998564E+00
1.48290138058E+00 1.55115615759E+00 1.62255255590E+00 1.69723517764E+00
1.77535528063E+00 1.85707108478E+00 1.94254809251E+00 2.03195942397E+00
2.12548616768E+00 2.22331774724E+00 2.32565230505E+00 2.43269710354E+00
2.54466894502E+00 2.66179461074E+00 2.78431132019E+00 2.91246721158E+00
3.04652184438E+00 3.18674672504E+00 3.33342585686E+00 3.48685631522E+00
3.64734884922E+00 3.81522851109E+00 3.99083531452E+00 4.17452492329E+00
4.36666937165E+00
</PP_RAB>
</PP_MESH>
<PP_LOCAL>
-2.97233180461E+01 -2.97233157749E+01 -2.97233132899E+01 -2.97233105707E+01
-2.97233075956E+01 -2.97233043402E+01 -2.97233007783E+01 -2.97232968809E+01
-2.97232926165E+01 -2.97232879504E+01 -2.97232828450E+01 -2.97232772588E+01
-2.97232711465E+01 -2.97232644586E+01 -2.97232571408E+01 -2.97232491339E+01
-2.97232403730E+01 -2.97232307870E+01 -2.97232202983E+01 -2.97232088218E+01
-2.97231962645E+01 -2.97231825247E+01 -2.97231674909E+01 -2.97231510414E+01
-2.97231330427E+01 -2.97231133490E+01 -2.97230918008E+01 -2.97230682232E+01
-2.97230424253E+01 -2.97230141980E+01 -2.97229833124E+01 -2.97229495182E+01
-2.97229125416E+01 -2.97228720827E+01 -2.97228278138E+01 -2.97227793760E+01
-2.97227263767E+01 -2.97226683865E+01 -2.97226049352E+01 -2.97225355087E+01
-2.97224595442E+01 -2.97223764262E+01 -2.97222854810E+01 -2.97221859716E+01
-2.97220770915E+01 -2.97219579583E+01 -2.97218276067E+01 -2.97216849803E+01
-2.97215289232E+01 -2.97213581710E+01 -2.97211713400E+01 -2.97209669163E+01
-2.97207432435E+01 -2.97204985093E+01 -2.97202307308E+01 -2.97199377385E+01
-2.97196171588E+01 -2.97192663944E+01 -2.97188826041E+01 -2.97184626789E+01
-2.97180032176E+01 -2.97175004987E+01 -2.97169504509E+01 -2.97163486199E+01
-2.97156901324E+01 -2.97149696569E+01 -2.97141813604E+01 -2.97133188619E+01
-2.97123751802E+01 -2.97113426785E+01 -2.97102130019E+01 -2.97089770111E+01
-2.97076247081E+01 -2.97061451565E+01 -2.97045263931E+01 -2.97027553322E+01
-2.97008176604E+01 -2.96986977224E+01 -2.96963783951E+01 -2.96938409515E+01
-2.96910649105E+01 -2.96880278744E+01 -2.96847053500E+01 -2.96810705546E+01
-2.96770942036E+01 -2.96727442786E+01 -2.96679857750E+01 -2.96627804264E+01
-2.96570864043E+01 -2.96508579906E+01 -2.96440452213E+01 -2.96365934982E+01
-2.96284431665E+01 -2.96195290552E+01 -2.96097799777E+01 -2.95991181891E+01
-2.95874587969E+01 -2.95747091224E+01 -2.95607680076E+01 -2.95455250658E+01
-2.95288598702E+01 -2.95106410780E+01 -2.94907254849E+01 -2.94689570073E+01
-2.94451655867E+01 -2.94191660146E+01 -2.93907566733E+01 -2.93597181900E+01
-2.93258120033E+01 -2.92887788384E+01 -2.92483370943E+01 -2.92041811419E+01
-2.91559795373E+01 -2.91033731569E+01 -2.90459732622E+01 -2.89833595069E+01
-2.89150779038E+01 -2.88406387727E+01 -2.87595146990E+01 -2.86711385380E+01
-2.85749015095E+01 -2.84701514398E+01 -2.83561912153E+01 -2.82322775312E+01
-2.80976200300E+01 -2.79513809446E+01 -2.77926753801E+01 -2.76205723877E+01
-2.74340970108E+01 -2.72322335051E+01 -2.70139299592E+01 -2.67781045684E+01
-2.65236538364E+01 -2.62494629971E+01 -2.59544189625E+01 -2.56374261068E+01
-2.52974251837E+01 -2.49334156482E+01 -2.45444815981E+01 -2.41298214709E+01
-2.36887815042E+01 -2.32208928061E+01 -2.27259116571E+01 -2.22038623889E+01
-2.16550818419E+01 -2.10802640029E+01 -2.04805029652E+01 -1.98573318636E+01
-1.92127549344E+01 -1.85492693831E+01 -1.78698733791E+01 -1.71780562968E+01
-1.64777674065E+01 -1.57733596623E+01 -1.50695061691E+01 -1.43710883999E+01
-1.36830573315E+01 -1.30102713364E+01 -1.23573177725E+01 -1.17283284789E+01
-1.11268023961E+01 -1.05554507350E+01 -1.00160808847E+01 -9.50953398522E+00
-9.03568737431E+00 -8.59352689059E+00 -8.18128576655E+00 -7.79663764757E+00
-7.43692277738E+00 -7.09938050338E+00 -6.78135969854E+00 -6.48048242196E+00
-6.19474483595E+00 -5.92255131515E+00 -5.66268995596E+00 -5.41426716178E+00
-5.17662327195E+00 -4.94924963820E+00 -4.73172139457E+00 -4.52365205933E+00
-4.32466891129E+00 -4.13440371905E+00 -3.95249226997E+00 -3.77857735393E+00
-3.61231199438E+00 -3.45336163328E+00 -3.30140514752E+00 -3.15613503599E+00
-3.01725715251E+00 -2.88449024086E+00 -2.75756540678E+00 -2.63622558490E+00
-2.52022502071E+00 -2.40932877345E+00 -2.30331224032E+00 -2.20196070163E+00
-2.10506888585E+00 -2.01244055396E+00 -1.92388810192E+00 -1.83923218077E+00
-1.75830133332E+00 -1.68093164696E+00 -1.60696642162E+00 -1.53625585246E+00
-1.46865672641E+00 -1.40403213212E+00 -1.34225118272E+00 -1.28318875067E+00
-1.22672521436E+00 -1.17274621582E+00 -1.12114242916E+00 -1.07180933905E+00
-1.02464702914E+00 -9.79559979624E-01 -9.36456873825E-01 -8.95250413222E-01
-8.55857140650E-01 -8.18197271270E-01 -7.82194530977E-01 -7.47776001918E-01
-7.14871974809E-01 -6.83415807750E-01 -6.53343791254E-01 -6.24595019210E-01
-5.97111265530E-01 -5.70836866221E-01 -5.45718606645E-01 -5.21705613742E-01
-4.98749252996E-01 -4.76803029930E-01 -4.55822495944E-01 -4.35765158285E-01
-4.16590393991E-01 -3.98259367611E-01 -3.80734952553E-01 -3.63981655886E-01
-3.47965546461E-01 -3.32654186181E-01 -3.18016564310E-01 -3.04023034662E-01
-2.90645255556E-01 -2.77856132418E-01 -2.65629762904E-01 -2.53941384436E-01
-2.42767324054E-01 -2.32084950467E-01 -2.21872628218E-01 -2.12109673864E-01
-2.02776314086E-01 -1.93853645642E-01 -1.85323597078E-01 -1.77168892131E-01
-1.69373014736E-01 -1.61920175578E-01 -1.54795280111E-01 -1.47983897985E-01
-1.41472233826E-01 -1.35247099287E-01 -1.29295886344E-01 -1.23606541756E-01
-1.18167542657E-01 -1.12967873214E-01 -1.07997002321E-01 -1.03244862264E-01
-9.87018283368E-02 -9.43586993423E-02 -9.02066789603E-02 -8.62373579305E-02
-8.24426970215E-02
</PP_LOCAL>
<PP_NONLOCAL>
<PP_BETA>
1 0 Beta L
219
1.09119164250E-02 1.14141682567E-02 1.19395372411E-02 1.24890883887E-02
1.30639335918E-02 1.36652383221E-02 1.42942192368E-02 1.49521508762E-02
1.56403651833E-02 1.63602567647E-02 1.71132833675E-02 1.79009697042E-02
1.87249117559E-02 1.95867777263E-02 2.04883128226E-02 2.14313440354E-02
2.24177801346E-02 2.34496197971E-02 2.45289520792E-02 2.56579635859E-02
2.68389403770E-02 2.80742741769E-02 2.93664671488E-02 3.07181361880E-02
3.21320186492E-02 3.36109780717E-02 3.51580094237E-02 3.67762457792E-02
3.84689649919E-02 4.02395939732E-02 4.20917191858E-02 4.40290918706E-02
4.60556342237E-02 4.81754522666E-02 5.03928338776E-02 5.27122740862E-02
5.51384716514E-02 5.76763304148E-02 6.03309974813E-02 6.31078487573E-02
6.60125031801E-02 6.90508417131E-02 7.22290167528E-02 7.55534662947E-02
7.90309185058E-02 8.26684106172E-02 8.64733125671E-02 9.04533266809E-02
9.46165064431E-02 9.89712799992E-02 1.03526459246E-01 1.08291272770E-01
1.13275355656E-01 1.18488796603E-01 1.23942141893E-01 1.29646437497E-01
1.35613213655E-01 1.41854545825E-01 1.48383058059E-01 1.55211954874E-01
1.62355048099E-01 1.69826778680E-01 1.77642257306E-01 1.85817275986E-01
1.94368367049E-01 2.03312794737E-01 2.12668641907E-01 2.22454795713E-01
2.32691018669E-01 2.43397975881E-01 2.54597270950E-01 2.66311495169E-01
2.78564270758E-01 2.91380292739E-01 3.04785383599E-01 3.18806536603E-01
3.33471966638E-01 3.48811177823E-01 3.64854990224E-01 3.81635639943E-01
3.99186794490E-01 4.17543654874E-01 4.36742981469E-01 4.56823200530E-01
4.77824437834E-01 4.99788612210E-01 5.22759511567E-01 5.46782855048E-01
5.71906344793E-01 5.98179810565E-01 6.25655197729E-01 6.54386777629E-01
6.84431054295E-01 7.15847078689E-01 7.48696311060E-01 7.83042741609E-01
8.18953122070E-01 8.56496781721E-01 8.95746066180E-01 9.36775970383E-01
9.79664569977E-01 1.02449277469E+00 1.07134457739E+00 1.12030703095E+00
1.17147003668E+00 1.22492668215E+00 1.28077288844E+00 1.33910733649E+00
1.40003150700E+00 1.46364938723E+00 1.53006700548E+00 1.59939240875E+00
1.67173497490E+00 1.74720489842E+00 1.82591247195E+00 1.90796715133E+00
1.99347642841E+00 2.08254443362E+00 2.17527031529E+00 2.27174606928E+00
2.37205402307E+00 2.47626388713E+00 2.58442905244E+00 2.69658211322E+00
2.81272966021E+00 2.93284598230E+00 3.05686569645E+00 3.18467472687E+00
3.31610011638E+00 3.45089805737E+00 3.58873964402E+00 3.72919488236E+00
3.87171473869E+00 4.01560936397E+00 4.16002775495E+00 4.30393047489E+00
4.44606476658E+00 4.58493808565E+00 4.71879127054E+00 4.84557496510E+00
4.96293187144E+00 5.06818462457E+00 5.15833922433E+00 5.23010336647E+00
5.27992998877E+00 5.30408959717E+00 5.29877811997E+00 5.26026736806E+00
5.18509924185E+00 5.07032501099E+00 4.91378342041E+00 4.71440417631E+00
4.47251535633E+00 4.19012251658E+00 3.87111916315E+00 3.52138354493E+00
3.14871523455E+00 2.76257689930E+00 2.37362465447E+00 1.99304073912E+00
1.63171975386E+00 1.29939594463E+00 1.00382759520E+00 7.50163583134E-01
5.40600675885E-01 3.74396433541E-01 2.48238825614E-01 1.56904914202E-01
9.40843674598E-02 5.32167425136E-02 2.82014768880E-02 1.38831641636E-02
6.27743891557E-03 2.56461220912E-03 9.21317345749E-04 2.75433412799E-04
5.83029321428E-05 1.16326157773E-06 -6.94000232033E-06 -4.55795263725E-06
-1.99740477429E-06 -6.97140527485E-07 -2.03130279228E-07 -5.00983511413E-08
-1.04600475256E-08 -1.83553171967E-09 -2.67484430064E-10 -3.18760278112E-11
-3.05102136875E-12 -2.29888676828E-13 -1.33861922524E-14 -6.11328854205E-16
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
</PP_BETA>
<PP_DIJ>
1 Number of nonzero Dij
1 1 1.16957606628E+00
</PP_DIJ>
</PP_NONLOCAL>
<PP_PSWFC>
2S 0 2.00 Wavefunction
2.28061240000E-04 2.38558440000E-04 2.49538800000E-04 2.61024580000E-04
2.73039020000E-04 2.85606480000E-04 2.98752390000E-04 3.12503390000E-04
3.26887320000E-04 3.41933330000E-04 3.57671890000E-04 3.74134870000E-04
3.91355630000E-04 4.09369040000E-04 4.28211580000E-04 4.47921440000E-04
4.68538520000E-04 4.90104600000E-04 5.12663350000E-04 5.36260480000E-04
5.60943780000E-04 5.86763250000E-04 6.13771200000E-04 6.42022340000E-04
6.71573900000E-04 7.02485750000E-04 7.34820510000E-04 7.68643690000E-04
8.04023830000E-04 8.41032590000E-04 8.79744970000E-04 9.20239420000E-04
9.62597970000E-04 1.00690650000E-03 1.05325470000E-03 1.10173660000E-03
1.15245050000E-03 1.20549900000E-03 1.26098980000E-03 1.31903540000E-03
1.37975340000E-03 1.44326690000E-03 1.50970470000E-03 1.57920160000E-03
1.65189850000E-03 1.72794280000E-03 1.80748890000E-03 1.89069820000E-03
1.97773950000E-03 2.06878950000E-03 2.16403300000E-03 2.26366360000E-03
2.36788350000E-03 2.47690450000E-03 2.59094810000E-03 2.71024640000E-03
2.83504180000E-03 2.96558830000E-03 3.10215160000E-03 3.24500980000E-03
3.39445400000E-03 3.55078880000E-03 3.71433320000E-03 3.88542090000E-03
4.06440160000E-03 4.25164090000E-03 4.44752220000E-03 4.65244650000E-03
4.86683400000E-03 5.09112480000E-03 5.32577980000E-03 5.57128190000E-03
5.82813710000E-03 6.09687560000E-03 6.37805320000E-03 6.67225250000E-03
6.98008430000E-03 7.30218940000E-03 7.63923960000E-03 7.99194030000E-03
8.36103140000E-03 8.74729010000E-03 9.15153220000E-03 9.57461520000E-03
1.00174400000E-02 1.04809540000E-02 1.09661540000E-02 1.14740890000E-02
1.20058630000E-02 1.25626400000E-02 1.31456460000E-02 1.37561760000E-02
1.43955950000E-02 1.50653480000E-02 1.57669610000E-02 1.65020480000E-02
1.72723210000E-02 1.80795920000E-02 1.89257890000E-02 1.98129560000E-02
2.07432710000E-02 2.17190510000E-02 2.27427690000E-02 2.38170670000E-02
2.49447670000E-02 2.61288960000E-02 2.73726990000E-02 2.86796610000E-02
3.00535350000E-02 3.14983670000E-02 3.30185220000E-02 3.46187250000E-02
3.63040940000E-02 3.80801840000E-02 3.99530350000E-02 4.19292250000E-02
4.40159300000E-02 4.62209910000E-02 4.85529910000E-02 5.10213370000E-02
5.36363540000E-02 5.64093920000E-02 5.93529420000E-02 6.24807640000E-02
6.58080320000E-02 6.93514920000E-02 7.31296380000E-02 7.71628970000E-02
8.14738390000E-02 8.60874020000E-02 9.10311230000E-02 9.63353900000E-02
1.02033710000E-01 1.08162940000E-01 1.14763610000E-01 1.21880100000E-01
1.29560890000E-01 1.37858740000E-01 1.46830770000E-01 1.56538460000E-01
1.67047540000E-01 1.78427610000E-01 1.90751620000E-01 2.04094960000E-01
2.18534240000E-01 2.34145590000E-01 2.51002410000E-01 2.69172570000E-01
2.88714910000E-01 3.09675080000E-01 3.32080720000E-01 3.55936040000E-01
3.81216000000E-01 4.07860320000E-01 4.35767680000E-01 4.64790660000E-01
4.94731850000E-01 5.25341850000E-01 5.56319700000E-01 5.87316160000E-01
6.17940180000E-01 6.47768460000E-01 6.76357740000E-01 7.03259030000E-01
7.28032750000E-01 7.50263620000E-01 7.69573940000E-01 7.85634540000E-01
7.98172620000E-01 8.06976450000E-01 8.11897290000E-01 8.12848980000E-01
8.09806150000E-01 8.02801390000E-01 7.91922100000E-01 7.77307050000E-01
7.59142580000E-01 7.37658640000E-01 7.13124220000E-01 6.85842340000E-01
6.56144670000E-01 6.24385610000E-01 5.90936210000E-01 5.56177930000E-01
5.20496240000E-01 4.84274450000E-01 4.47887530000E-01 4.11696340000E-01
3.76042110000E-01 3.41241450000E-01 3.07581890000E-01 2.75318040000E-01
2.44668500000E-01 2.15813570000E-01 1.88893830000E-01 1.64009610000E-01
1.41221420000E-01 1.20551280000E-01 1.01984980000E-01 8.54750970000E-02
7.09447920000E-02 5.82921310000E-02 4.73948360000E-02 3.81152710000E-02
3.03054550000E-02 2.38119420000E-02 1.84803600000E-02 1.41594970000E-02
1.07047720000E-02 7.98103950000E-03 5.86466740000E-03 4.24489950000E-03
3.02452910000E-03 2.11996200000E-03 1.46075900000E-03 9.88770080000E-04
6.56975680000E-04 4.28149640000E-04 2.73446490000E-04 1.71001470000E-04
1.04611490000E-04 6.25449480000E-05 3.65088500000E-05 2.07842100000E-05
1.15267480000E-05 6.21992080000E-06 3.26108620000E-06 1.65956250000E-06
8.18667970000E-07 3.90913520000E-07 1.80412660000E-07 8.03596320000E-08
3.45152480000E-08 1.43387890000E-08 5.93228830000E-09 2.35424230000E-09
8.94471490000E-10 3.24711200000E-10 1.12391220000E-10 3.70099790000E-11
1.15680410000E-11 3.42383290000E-12 9.57164160000E-13 2.52081250000E-13
6.23708290000E-14 1.44564310000E-14 3.12948980000E-15 6.30743890000E-16
1.17969830000E-16 2.04048250000E-17 3.25218780000E-18 4.75843400000E-19
6.36631050000E-20 7.75635790000E-21 8.56845860000E-22 8.54407110000E-23
7.65414440000E-24 6.12994000000E-25 4.36619470000E-26 2.75101980000E-27
1.52467280000E-28 7.38903300000E-30 3.11203400000E-31 1.13172540000E-32
3.52974210000E-34 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00
2P 1 2.00 Wavefunction
8.98957130000E-07 9.83615700000E-07 1.07624690000E-06 1.17760160000E-06
1.28850130000E-06 1.40984480000E-06 1.54261580000E-06 1.68789030000E-06
1.84684590000E-06 2.02077100000E-06 2.21107530000E-06 2.41930140000E-06
2.64713680000E-06 2.89642840000E-06 3.16919680000E-06 3.46765280000E-06
3.79421550000E-06 4.15153180000E-06 4.54249780000E-06 4.97028250000E-06
5.43835320000E-06 5.95050370000E-06 6.51088500000E-06 7.12403930000E-06
7.79493630000E-06 8.52901360000E-06 9.33222110000E-06 1.02110690000E-05
1.11726800000E-05 1.22248480000E-05 1.33761020000E-05 1.46357710000E-05
1.60140660000E-05 1.75221570000E-05 1.91722670000E-05 2.09777700000E-05
2.29532980000E-05 2.51148630000E-05 2.74799830000E-05 3.00678260000E-05
3.28993630000E-05 3.59975440000E-05 3.93874750000E-05 4.30966280000E-05
4.71550620000E-05 5.15956640000E-05 5.64544190000E-05 6.17706980000E-05
6.75875790000E-05 7.39521970000E-05 8.09161190000E-05 8.85357710000E-05
9.68728870000E-05 1.05995010000E-04 1.15976040000E-04 1.26896840000E-04
1.38845870000E-04 1.51919910000E-04 1.66224870000E-04 1.81876590000E-04
1.99001830000E-04 2.17739260000E-04 2.38240600000E-04 2.60671830000E-04
2.85214540000E-04 3.12067380000E-04 3.41447680000E-04 3.73593200000E-04
4.08764000000E-04 4.47244620000E-04 4.89346260000E-04 5.35409390000E-04
5.85806410000E-04 6.40944640000E-04 7.01269620000E-04 7.67268660000E-04
8.39474740000E-04 9.18470730000E-04 1.00489410000E-03 1.09944200000E-03
1.20287660000E-03 1.31603150000E-03 1.43981810000E-03 1.57523260000E-03
1.72336440000E-03 1.88540410000E-03 2.06265320000E-03 2.25653400000E-03
2.46860100000E-03 2.70055250000E-03 2.95424410000E-03 3.23170270000E-03
3.53514210000E-03 3.86697990000E-03 4.22985560000E-03 4.62665040000E-03
5.06050850000E-03 5.53486060000E-03 6.05344890000E-03 6.62035380000E-03
7.24002350000E-03 7.91730500000E-03 8.65747810000E-03 9.46629150000E-03
1.03500010000E-02 1.13154120000E-02 1.23699220000E-02 1.35215680000E-02
1.47790740000E-02 1.61519070000E-02 1.76503260000E-02 1.92854410000E-02
2.10692740000E-02 2.30148110000E-02 2.51360720000E-02 2.74481650000E-02
2.99673510000E-02 3.27110970000E-02 3.56981350000E-02 3.89485130000E-02
4.24836320000E-02 4.63262830000E-02 5.05006690000E-02 5.50324050000E-02
5.99485040000E-02 6.52773380000E-02 7.10485660000E-02 7.72930280000E-02
8.40425970000E-02 9.13299840000E-02 9.91884820000E-02 1.07651650000E-01
1.16752930000E-01 1.26525160000E-01 1.37000060000E-01 1.48207520000E-01
1.60174940000E-01 1.72926350000E-01 1.86481480000E-01 2.00854780000E-01
2.16054300000E-01 2.32080610000E-01 2.48925590000E-01 2.66571320000E-01
2.84989010000E-01 3.04138010000E-01 3.23965010000E-01 3.44403510000E-01
3.65373510000E-01 3.86781650000E-01 4.08521720000E-01 4.30475570000E-01
4.52514570000E-01 4.74501410000E-01 4.96292330000E-01 5.17739610000E-01
5.38694190000E-01 5.59008350000E-01 5.78538110000E-01 5.97145370000E-01
6.14699520000E-01 6.31078490000E-01 6.46169150000E-01 6.59867260000E-01
6.72076870000E-01 6.82709610000E-01 6.91684020000E-01 6.98925100000E-01
7.04364440000E-01 7.07940810000E-01 7.09601510000E-01 7.09304040000E-01
7.07018090000E-01 7.02727520000E-01 6.96432030000E-01 6.88148310000E-01
6.77910670000E-01 6.65771070000E-01 6.51798520000E-01 6.36078260000E-01
6.18710530000E-01 5.99809270000E-01 5.79500700000E-01 5.57921850000E-01
5.35219180000E-01 5.11547050000E-01 4.87066300000E-01 4.61942730000E-01
4.36345600000E-01 4.10446070000E-01 3.84415550000E-01 3.58424000000E-01
3.32638200000E-01 3.07219910000E-01 2.82323990000E-01 2.58096500000E-01
2.34672880000E-01 2.12176130000E-01 1.90715170000E-01 1.70383370000E-01
1.51257350000E-01 1.33396060000E-01 1.16840270000E-01 1.01612380000E-01
8.77167280000E-02 7.51402570000E-02 6.38536040000E-02 5.38125840000E-02
4.49599720000E-02 3.72275650000E-02 3.05384160000E-02 2.48091760000E-02
1.99524460000E-02 1.58790590000E-02 1.25002080000E-02 9.72936010000E-03
7.48388970000E-03 5.68641140000E-03 4.26577580000E-03 3.15773900000E-03
2.30531370000E-03 1.65883430000E-03 1.17577310000E-03 8.20355700000E-04
5.63023490000E-04 3.79794600000E-04 2.51580610000E-04 1.63573110000E-04
1.04304180000E-04 6.51708470000E-05 3.98620180000E-05 2.38453890000E-05
1.39376870000E-05 7.95469470000E-06 4.43428940000E-06 2.42381730000E-06
1.32243450000E-06 7.01179730000E-07 3.60817550000E-07 1.79947130000E-07
8.68499360000E-08 4.05042750000E-08 1.82241930000E-08 7.89749940000E-09
3.29055730000E-09 1.31582470000E-09 5.04021790000E-10 1.84569310000E-10
6.44800160000E-11 2.14437850000E-11 6.77329950000E-12 2.02716060000E-12
5.73435020000E-13 1.52917770000E-13 3.83377820000E-14 9.01061930000E-15
1.97946330000E-15 4.05184260000E-16 7.70291150000E-17 1.35542170000E-17
2.19969820000E-18 3.28021010000E-19 4.47709660000E-20 5.57026670000E-21
6.29053060000E-22 6.41936620000E-23 5.89200780000E-24 4.84038870000E-25
3.54099120000E-26
</PP_PSWFC>
<PP_RHOATOM>
1.04025474629E-07 1.13822193590E-07 1.24541542026E-07 1.36270436219E-07
1.49103933356E-07 1.63146098161E-07 1.78510740388E-07 1.95322435470E-07
2.13717461633E-07 2.33844971361E-07 2.55868139500E-07 2.79965507938E-07
3.06332472932E-07 3.35182800416E-07 3.66750402109E-07 4.01291282055E-07
4.39085481590E-07 4.80439508315E-07 5.25688689439E-07 5.75200012236E-07
6.29375000012E-07 6.88653040090E-07 7.53514955146E-07 8.24486873990E-07
9.02144528386E-07 9.87117946052E-07 1.08009654453E-06 1.18183477621E-06
1.29315829597E-06 1.41497052870E-06 1.54826026469E-06 1.69410959183E-06
1.85370260432E-06 2.02833545146E-06 2.21942607779E-06 2.42852720523E-06
2.65733801768E-06 2.90771719069E-06 3.18170085034E-06 3.48151692123E-06
3.80960362579E-06 4.16863033562E-06 4.56151930878E-06 4.99147002558E-06
5.46198450835E-06 5.97689686523E-06 6.54040645010E-06 7.15711060523E-06
7.83204322139E-06 8.57071784550E-06 9.37917248681E-06 1.02640229534E-05
1.12325132516E-05 1.22925816885E-05 1.34529249975E-05 1.47230767134E-05
1.61134803667E-05 1.76355872483E-05 1.93019505136E-05 2.11263353922E-05
2.31238393729E-05 2.53110229751E-05 2.77060594082E-05 3.03288907462E-05
3.32014153998E-05 3.63476727844E-05 3.97940804753E-05 4.35696606289E-05
4.77063223825E-05 5.22391589586E-05 5.72067804805E-05 6.26516904483E-05
6.86207024128E-05 7.51654042268E-05 8.23426834039E-05 9.02153092407E-05
9.88525893484E-05 1.08331117031E-04 1.18735587637E-04 1.30159764940E-04
1.42707516373E-04 1.56494046005E-04 1.71647235537E-04 1.88309227944E-04
2.06638178018E-04 2.26810290741E-04 2.49022143550E-04 2.73493328146E-04
3.00469474544E-04 3.30225815150E-04 3.63071133919E-04 3.99352560968E-04
4.39460770142E-04 4.83836487816E-04 5.32977475145E-04 5.87446964236E-04
6.47883638011E-04 7.15012657496E-04 7.89659465715E-04 8.72764619790E-04
9.65402464120E-04 1.06880178961E-03 1.18437093768E-03 1.31372671049E-03
1.45872784277E-03 1.62151550982E-03 1.80455924166E-03 2.01071151251E-03
2.24327198859E-03 2.50606244681E-03 2.80351360594E-03 3.14076871038E-03
3.52380309610E-03 3.95956387768E-03 4.45613424260E-03 5.02292334194E-03
5.67088843944E-03 6.41279175193E-03 7.26349955505E-03 8.24032698836E-03
9.36343491665E-03 1.06562880048E-02 1.21461785870E-02 1.38648229402E-02
1.58490404151E-02 1.81415205980E-02 2.07916853693E-02 2.38566497017E-02
2.74022891038E-02 3.15044135211E-02 3.62500406322E-02 4.17387702283E-02
4.80842492799E-02 5.54156754049E-02 6.38794052405E-02 7.36404555211E-02
8.48840712432E-02 9.78171094374E-02 1.12669234804E-01 1.29693864216E-01
1.49168682337E-01 1.71395643097E-01 1.96700259779E-01 2.25430042688E-01
2.57951899746E-01 2.94648172886E-01 3.35911075060E-01 3.82135300281E-01
4.33708202132E-01 4.90997399899E-01 5.54335200615E-01 6.23999361875E-01
7.00190149437E-01 7.83003257445E-01 8.72399095499E-01 9.68169322772E-01
1.06990206749E+00 1.17694878946E+00 1.28839590666E+00 1.40304572942E+00
1.51941113189E+00 1.63572807662E+00 1.74998872574E+00 1.85999612819E+00
1.96343800852E+00 2.05797582216E+00 2.14134166530E+00 2.21143585170E+00
2.26641759131E+00 2.30478236264E+00 2.32542302501E+00 2.32767137089E+00
2.31132116033E+00 2.27663207830E+00 2.22431636976E+00 2.15550869307E+00
2.07172066654E+00 1.97478277363E+00 1.86677492765E+00 1.74995053636E+00
1.62665709580E+00 1.49925710071E+00 1.37005333118E+00 1.24122136105E+00
1.11475181299E+00 9.92404254573E-01 8.75673640250E-01 7.65769924338E-01
6.63610302265E-01 5.69823407153E-01 4.84763868276E-01 4.08535573851E-01
3.41021693983E-01 2.81919140193E-01 2.30775428683E-01 1.87025910969E-01
1.50029700149E-01 1.19102642503E-01 9.35464244275E-02 7.26729699594E-02
5.58238988819E-02 4.23849627201E-02 3.17958383463E-02 2.35556993053E-02
1.72252899476E-02 1.24261336077E-02 8.83761289904E-03 6.19257110410E-03
4.27198245163E-03 2.89917717466E-03 1.93397835100E-03 1.26702877113E-03
8.14495755319E-04 5.13277507214E-04 3.16778033799E-04 1.91276228453E-04
1.12880444172E-04 6.50371734486E-05 3.65432323175E-05 2.00011141897E-05
1.06508296385E-05 5.51128621075E-06 2.76755055762E-06 1.34683091582E-06
6.34256632422E-07 2.88565251208E-07 1.26606876022E-07 5.35178329255E-08
2.17600643654E-08 8.49478422416E-09 3.17802605552E-09 1.13721806846E-09
3.88520620425E-10 1.26554746742E-10 3.93259153500E-11 1.17497916925E-11
3.49766761374E-12 9.83306238400E-13 2.60378634040E-13 6.47619419300E-14
1.50858230340E-14 3.28119261000E-15 6.64242422835E-16 1.24740993673E-16
2.16555346969E-17 3.46278928268E-18 5.08075929609E-19 6.81316603885E-20
8.31534492675E-21 9.19671830253E-22 9.17551722334E-23 8.21876019639E-24
6.57655444325E-25 4.67676887635E-26 2.93957105736E-27 1.62382520339E-28
7.83654991209E-30 3.28348569103E-31 1.18669691154E-32 3.67433596966E-34
9.67734434217E-36 2.15195566003E-37 4.00887879315E-39 6.20557422183E-41
7.91415504591E-43 8.24165248194E-45 6.94315118305E-47 4.68587255342E-49
2.50772373570E-51
</PP_RHOATOM>

3458
pseudo/C.tpss-mt.UPF
View File

File diff suppressed because it is too large Load Diff

3292
pseudo/Cu.pz-d-rrkjus.UPF
View File

File diff suppressed because it is too large Load Diff

7987
pseudo/Fe.pz-nd-rrkjus.UPF
View File

File diff suppressed because it is too large Load Diff

359
pseudo/H.blyp-vbc.UPF
View File

@ -1,359 +0,0 @@
<PP_INFO>
Generated using ld1 code
Author: P. Giannozzi Generation date: 2001
Info: Hydrogen BLYP 1s1 local VonBarth-Car
0 The Pseudo was generated with a Non-Relativistic Calculation
0.00000000000E+00 Local Potential cutoff radius
nl pn l occ Rcut Rcut US E pseu
1S 0 0 1.00 0.94000000000 0.00000000000 0.00000000000
</PP_INFO>
<PP_HEADER>
0 Version Number
H Element
NC Norm - Conserving pseudopotential
F Nonlinear Core Correction
SLA LYP B88 BLYP BLYP Exchange-Correlation functional
1.00000000000 Z valence
0.00000000000 Total energy
60.000000 240.00000 Suggested cutoff for wfc and rho
-1 Max angular momentum component
243 Number of points in mesh
1 0 Number of Wavefunctions, Number of Projectors
Wavefunctions nl l occ
1S 0 1.00
</PP_HEADER>
<PP_MESH>
<PP_R>
3.35462627903E-04 3.52662164628E-04 3.70743540459E-04 3.89751968253E-04
4.09734978980E-04 4.30742540576E-04 4.52827182887E-04 4.76044129022E-04
5.00451433441E-04 5.26110127116E-04 5.53084370148E-04 5.81441612194E-04
6.11252761130E-04 6.42592360356E-04 6.75538775194E-04 7.10174388843E-04
7.46585808377E-04 7.84864081311E-04 8.25104923266E-04 8.67408957307E-04
9.11881965555E-04 9.58635153694E-04 1.00778542905E-03 1.05945569291E-03
1.11377514784E-03 1.17087962079E-03 1.23091190267E-03 1.29402210547E-03
1.36036803755E-03 1.43011559831E-03 1.50343919298E-03 1.58052216874E-03
1.66155727317E-03 1.74674713626E-03 1.83630477703E-03 1.93045413623E-03
2.02943063630E-03 2.13348177004E-03 2.24286771949E-03 2.35786200649E-03
2.47875217667E-03 2.60584051841E-03 2.73944481877E-03 2.87989915809E-03
3.02755474538E-03 3.18278079651E-03 3.34596545747E-03 3.51751677491E-03
3.69786371648E-03 3.88745724348E-03 4.08677143846E-03 4.29630469075E-03
4.51658094261E-03 4.74815099941E-03 4.99159390691E-03 5.24751839918E-03
5.51656442076E-03 5.79940472684E-03 6.09674656552E-03 6.40933344626E-03
6.73794699909E-03 7.08340892905E-03 7.44658307092E-03 7.82837754923E-03
8.22974704902E-03 8.65169520312E-03 9.09527710170E-03 9.56160193054E-03
1.00518357446E-02 1.05672043839E-02 1.11089965382E-02 1.16785669704E-02
1.22773399031E-02 1.29068125805E-02 1.35685590122E-02 1.42642339090E-02
1.49955768205E-02 1.57644164849E-02 1.65726754018E-02 1.74223746395E-02
1.83156388887E-02 1.92547017754E-02 2.02419114458E-02 2.12797364384E-02
2.23707718562E-02 2.35177458560E-02 2.47235264703E-02 2.59911287788E-02
2.73237224473E-02 2.87246396542E-02 3.01973834223E-02 3.17456363781E-02
3.33732699603E-02 3.50843541008E-02 3.68831674012E-02 3.87742078317E-02
4.07622039784E-02 4.28521268670E-02 4.50492023936E-02 4.73589243911E-02
4.97870683679E-02 5.23397059484E-02 5.50232200564E-02 5.78443208748E-02
6.08100626252E-02 6.39278612067E-02 6.72055127397E-02 7.06512130604E-02
7.42735782143E-02 7.80816660012E-02 8.20849986239E-02 8.62935864994E-02
9.07179532894E-02 9.53691622155E-02 1.00258843723E-01 1.05399224562E-01
1.10803158362E-01 1.16484157773E-01 1.22456428253E-01 1.28734903588E-01
1.35335283237E-01 1.42274071587E-01 1.49568619223E-01 1.57237166314E-01
1.65298888222E-01 1.73773943450E-01 1.82683524053E-01 1.92049908621E-01
2.01896517995E-01 2.12247973827E-01 2.23130160148E-01 2.34570288094E-01
2.46596963942E-01 2.59240260646E-01 2.72531793034E-01 2.86504796860E-01
3.01194211912E-01 3.16636769379E-01 3.32871083698E-01 3.49937749111E-01
3.67879441171E-01 3.86741023455E-01 4.06569659741E-01 4.27414931949E-01
4.49328964117E-01 4.72366552741E-01 4.96585303791E-01 5.22045776761E-01
5.48811636094E-01 5.76949810380E-01 6.06530659713E-01 6.37628151622E-01
6.70320046036E-01 7.04688089719E-01 7.40818220682E-01 7.78800783071E-01
8.18730753078E-01 8.60707976425E-01 9.04837418036E-01 9.51229424501E-01
1.00000000000E+00 1.05127109638E+00 1.10517091808E+00 1.16183424273E+00
1.22140275816E+00 1.28402541669E+00 1.34985880758E+00 1.41906754859E+00
1.49182469764E+00 1.56831218549E+00 1.64872127070E+00 1.73325301787E+00
1.82211880039E+00 1.91554082901E+00 2.01375270747E+00 2.11700001661E+00
2.22554092849E+00 2.33964685193E+00 2.45960311116E+00 2.58570965932E+00
2.71828182846E+00 2.85765111806E+00 3.00416602395E+00 3.15819290969E+00
3.32011692274E+00 3.49034295746E+00 3.66929666762E+00 3.85742553070E+00
4.05519996684E+00 4.26311451517E+00 4.48168907034E+00 4.71147018259E+00
4.95303242440E+00 5.20697982718E+00 5.47394739173E+00 5.75460267601E+00
6.04964746441E+00 6.35981952260E+00 6.68589444228E+00 7.02868758059E+00
7.38905609893E+00 7.76790110631E+00 8.16616991257E+00 8.58485839718E+00
9.02501349943E+00 9.48773583636E+00 9.97418245481E+00 1.04855697247E+01
1.10231763806E+01 1.15883467192E+01 1.21824939607E+01 1.28071037827E+01
1.34637380350E+01 1.41540386454E+01 1.48797317249E+01 1.56426318842E+01
1.64446467711E+01 1.72877818406E+01 1.81741453694E+01 1.91059537282E+01
2.00855369232E+01 2.11153444225E+01 2.21979512814E+01 2.33360645809E+01
2.45325301971E+01 2.57903399172E+01 2.71126389207E+01 2.85027336438E+01
2.99641000474E+01 3.15003923087E+01 3.31154519587E+01 3.48133174876E+01
3.65982344437E+01 3.84746660490E+01 4.04473043601E+01 4.25210820001E+01
4.47011844933E+01 4.69930632316E+01 4.94024491055E+01 5.19353668348E+01
5.45981500331E+01 5.73974570454E+01 6.03402875974E+01
</PP_R>
<PP_RAB>
1.67731313951E-05 1.76331082314E-05 1.85371770230E-05 1.94875984126E-05
2.04867489490E-05 2.15371270288E-05 2.26413591443E-05 2.38022064511E-05
2.50225716720E-05 2.63055063558E-05 2.76542185074E-05 2.90720806097E-05
3.05626380565E-05 3.21296180178E-05 3.37769387597E-05 3.55087194421E-05
3.73292904188E-05 3.92432040655E-05 4.12552461633E-05 4.33704478654E-05
4.55940982777E-05 4.79317576847E-05 5.03892714524E-05 5.29727846454E-05
5.56887573922E-05 5.85439810396E-05 6.15455951337E-05 6.47011052733E-05
6.80184018774E-05 7.15057799154E-05 7.51719596489E-05 7.90261084368E-05
8.30778636587E-05 8.73373568131E-05 9.18152388514E-05 9.65227068114E-05
1.01471531815E-04 1.06674088502E-04 1.12143385974E-04 1.17893100325E-04
1.23937608833E-04 1.30292025920E-04 1.36972240938E-04 1.43994957904E-04
1.51377737269E-04 1.59139039825E-04 1.67298272874E-04 1.75875838746E-04
1.84893185824E-04 1.94372862174E-04 2.04338571923E-04 2.14815234538E-04
2.25829047131E-04 2.37407549971E-04 2.49579695346E-04 2.62375919959E-04
2.75828221038E-04 2.89970236342E-04 3.04837328276E-04 3.20466672313E-04
3.36897349954E-04 3.54170446453E-04 3.72329153546E-04 3.91418877461E-04
4.11487352451E-04 4.32584760156E-04 4.54763855085E-04 4.78080096527E-04
5.02591787232E-04 5.28360219193E-04 5.55449826912E-04 5.83928348520E-04
6.13866995153E-04 6.45340629024E-04 6.78427950610E-04 7.13211695450E-04
7.49778841024E-04 7.88220824243E-04 8.28633770088E-04 8.71118731975E-04
9.15781944437E-04 9.62735088769E-04 1.01209557229E-03 1.06398682192E-03
1.11853859281E-03 1.17588729280E-03 1.23617632352E-03 1.29955643894E-03
1.36618612236E-03 1.43623198271E-03 1.50986917112E-03 1.58728181890E-03
1.66866349802E-03 1.75421770504E-03 1.84415837006E-03 1.93871039159E-03
2.03811019892E-03 2.14260634335E-03 2.25246011968E-03 2.36794621956E-03
2.48935341839E-03 2.61698529742E-03 2.75116100282E-03 2.89221604374E-03
3.04050313126E-03 3.19639306034E-03 3.36027563699E-03 3.53256065302E-03
3.71367891072E-03 3.90408330006E-03 4.10424993119E-03 4.31467932497E-03
4.53589766447E-03 4.76845811078E-03 5.01294218614E-03 5.26996122809E-03
5.54015791812E-03 5.82420788867E-03 6.12282141265E-03 6.43674517939E-03
6.76676416183E-03 7.11370357933E-03 7.47843096113E-03 7.86185831568E-03
8.26494441108E-03 8.68869717252E-03 9.13417620264E-03 9.60249543104E-03
1.00948258997E-02 1.06123986913E-02 1.11565080074E-02 1.17285144047E-02
1.23298481971E-02 1.29620130323E-02 1.36265896517E-02 1.43252398430E-02
1.50597105956E-02 1.58318384690E-02 1.66435541849E-02 1.74968874556E-02
1.83939720586E-02 1.93370511727E-02 2.03284829870E-02 2.13707465974E-02
2.24664482059E-02 2.36183276371E-02 2.48292651896E-02 2.61022888381E-02
2.74405818047E-02 2.88474905190E-02 3.03265329856E-02 3.18814075811E-02
3.35160023018E-02 3.52344044859E-02 3.70409110341E-02 3.89400391536E-02
4.09365376539E-02 4.30353988213E-02 4.52418709018E-02 4.75614712250E-02
5.00000000000E-02 5.25635548188E-02 5.52585459038E-02 5.80917121364E-02
6.10701379080E-02 6.42012708344E-02 6.74929403788E-02 7.09533774297E-02
7.45912348821E-02 7.84156092745E-02 8.24360635350E-02 8.66626508934E-02
9.11059400195E-02 9.57770414507E-02 1.00687635374E-01 1.05850000831E-01
1.11277046425E-01 1.16982342596E-01 1.22980155558E-01 1.29285482966E-01
1.35914091423E-01 1.42882555903E-01 1.50208301197E-01 1.57909645484E-01
1.66005846137E-01 1.74517147873E-01 1.83464833381E-01 1.92871276535E-01
2.02759998342E-01 2.13155725758E-01 2.24084453517E-01 2.35573509130E-01
2.47651621220E-01 2.60348991359E-01 2.73697369586E-01 2.87730133800E-01
3.02482373221E-01 3.17990976130E-01 3.34294722114E-01 3.51434379029E-01
3.69452804947E-01 3.88395055315E-01 4.08308495628E-01 4.29242919859E-01
4.51250674972E-01 4.74386791818E-01 4.98709122741E-01 5.24278486236E-01
5.51158819032E-01 5.79417335961E-01 6.09124698035E-01 6.40355189133E-01
6.73186901750E-01 7.07701932269E-01 7.43986586244E-01 7.82131594209E-01
8.22232338555E-01 8.64389092028E-01 9.08707268472E-01 9.55297686412E-01
1.00427684616E+00 1.05576722113E+00 1.10989756407E+00 1.16680322905E+00
1.22662650986E+00 1.28951699586E+00 1.35563194603E+00 1.42513668219E+00
1.49820500237E+00 1.57501961544E+00 1.65577259793E+00 1.74066587438E+00
1.82991172218E+00 1.92373330245E+00 2.02236521800E+00 2.12605410000E+00
2.23505922467E+00 2.34965316158E+00 2.47012245528E+00 2.59676834174E+00
2.72990750166E+00 2.86987285227E+00 3.01701437987E+00
</PP_RAB>
</PP_MESH>
<PP_LOCAL>
-1.29502203134E+01 -1.29502191540E+01 -1.29502178727E+01 -1.29502164567E+01
-1.29502148918E+01 -1.29502131622E+01 -1.29502112508E+01 -1.29502091384E+01
-1.29502068037E+01 -1.29502042236E+01 -1.29502013721E+01 -1.29501982207E+01
-1.29501947378E+01 -1.29501908887E+01 -1.29501866347E+01 -1.29501819334E+01
-1.29501767376E+01 -1.29501709954E+01 -1.29501646492E+01 -1.29501576357E+01
-1.29501498845E+01 -1.29501413181E+01 -1.29501318509E+01 -1.29501213879E+01
-1.29501098246E+01 -1.29500970451E+01 -1.29500829217E+01 -1.29500673128E+01
-1.29500500625E+01 -1.29500309979E+01 -1.29500099284E+01 -1.29499866430E+01
-1.29499609087E+01 -1.29499324680E+01 -1.29499010363E+01 -1.29498662990E+01
-1.29498279085E+01 -1.29497854807E+01 -1.29497385909E+01 -1.29496867700E+01
-1.29496294994E+01 -1.29495662060E+01 -1.29494962565E+01 -1.29494189510E+01
-1.29493335160E+01 -1.29492390967E+01 -1.29491347485E+01 -1.29490194272E+01
-1.29488919793E+01 -1.29487511298E+01 -1.29485954696E+01 -1.29484234417E+01
-1.29482333253E+01 -1.29480232191E+01 -1.29477910217E+01 -1.29475344110E+01
-1.29472508210E+01 -1.29469374163E+01 -1.29465910636E+01 -1.29462083006E+01
-1.29457853015E+01 -1.29453178389E+01 -1.29448012419E+01 -1.29442303494E+01
-1.29435994587E+01 -1.29429022696E+01 -1.29421318211E+01 -1.29412804225E+01
-1.29403395779E+01 -1.29392999013E+01 -1.29381510245E+01 -1.29368814947E+01
-1.29354786613E+01 -1.29339285522E+01 -1.29322157359E+01 -1.29303231712E+01
-1.29282320397E+01 -1.29259215635E+01 -1.29233688023E+01 -1.29205484316E+01
-1.29174324984E+01 -1.29139901518E+01 -1.29101873480E+01 -1.29059865258E+01
-1.29013462505E+01 -1.28962208231E+01 -1.28905598531E+01 -1.28843077895E+01
-1.28774034090E+01 -1.28697792567E+01 -1.28613610360E+01 -1.28520669445E+01
-1.28418069516E+01 -1.28304820153E+01 -1.28179832337E+01 -1.28041909295E+01
-1.27889736633E+01 -1.27721871753E+01 -1.27536732542E+01 -1.27332585320E+01
-1.27107532094E+01 -1.26859497130E+01 -1.26586212928E+01 -1.26285205697E+01
-1.25953780471E+01 -1.25589006051E+01 -1.25187700054E+01 -1.24746414371E+01
-1.24261421477E+01 -1.23728702118E+01 -1.23143935030E+01 -1.22502489484E+01
-1.21799421643E+01 -1.21029475868E+01 -1.20187092362E+01 -1.19266422720E+01
-1.18261355238E+01 -1.17165552057E+01 -1.15972500440E+01 -1.14675580712E+01
-1.13268153534E+01 -1.11743669232E+01 -1.10095801853E+01 -1.08318610348E+01
-1.06406728738E+01 -1.04355586311E+01 -1.02161657559E+01 -9.98227398156E+00
-9.73382541510E+00 -9.47095620703E+00 -9.19402868810E+00 -8.90366243534E+00
-8.60076226420E+00 -8.28654067225E+00 -7.96253183308E+00 -7.63059393158E+00
-7.29289653649E+00 -6.95188993629E+00 -6.61025403537E+00 -6.27082562065E+00
-5.93650462203E+00 -5.61014237438E+00 -5.29441769454E+00 -4.99170950135E+00
-4.70397725346E+00 -4.43266204327E+00 -4.17862111392E+00 -3.94210632955E+00
-3.72279252780E+00 -3.51985506085E+00 -3.33208818303E+00 -3.15804885046E+00
-2.99620580369E+00 -2.84507305211E+00 -2.70331069015E+00 -2.56978360766E+00
-2.44357804619E+00 -2.32398434484E+00 -2.21045921728E+00 -2.10258145004E+00
-2.00001168621E+00 -1.90246190773E+00 -1.80967553048E+00 -1.72141608753E+00
-1.63746152810E+00 -1.55760156909E+00 -1.48163644168E+00 -1.40937617946E+00
-1.34064009207E+00 -1.27525630324E+00 -1.21306131943E+00 -1.15389962076E+00
-1.09762327219E+00 -1.04409155352E+00 -9.93170607583E-01 -9.44733105482E-01
-8.98657928234E-01 -8.54829863897E-01 -8.13139319481E-01 -7.73482046909E-01
-7.35758882343E-01 -6.99875498222E-01 -6.65742167396E-01 -6.33273538758E-01
-6.02388423824E-01 -5.73009593720E-01 -5.45063586068E-01 -5.18480521292E-01
-4.93193927883E-01 -4.69140576188E-01 -4.46260320297E-01 -4.24495947653E-01
-4.03793035989E-01 -3.84099817242E-01 -3.65367048105E-01 -3.47547886901E-01
-3.30597776443E-01 -3.14474332627E-01 -2.99137238445E-01 -2.84548143173E-01
-2.70670566473E-01 -2.57469807176E-01 -2.44912856506E-01 -2.32968315547E-01
-2.21606316725E-01 -2.10798449124E-01 -2.00517687446E-01 -1.90738324431E-01
-1.81435906579E-01 -1.72587172999E-01 -1.64169997248E-01 -1.56163332002E-01
-1.48547156429E-01 -1.41302426121E-01 -1.34411025479E-01 -1.27855722413E-01
-1.21620125250E-01 -1.15688641750E-01 -1.10046440113E-01 -1.04679411897E-01
-9.95741367357E-02 -9.47178487823E-02 -9.00984047871E-02 -8.57042537341E-02
-8.15244079567E-02 -7.75484156634E-02 -7.37663348025E-02 -7.01687082017E-02
-6.67465399207E-02 -6.34912727561E-02 -6.03947668446E-02 -5.74492793085E-02
-5.46474448946E-02 -5.19822575575E-02 -4.94470529407E-02 -4.70354917120E-02
-4.47415437123E-02 -4.25594728768E-02 -4.04838228916E-02 -3.85094035508E-02
-3.66312777775E-02 -3.48447492790E-02 -3.31453508035E-02
</PP_LOCAL>
<PP_NONLOCAL>
<PP_DIJ>
0 Number of nonzero Dij
</PP_DIJ>
</PP_NONLOCAL>
<PP_PSWFC>
1S 0 1.00 Wavefunction
5.54554020000E-04 5.82986610000E-04 6.12876970000E-04 6.44299850000E-04
6.77333810000E-04 7.12061460000E-04 7.48569630000E-04 7.86949610000E-04
8.27297370000E-04 8.69713790000E-04 9.14304950000E-04 9.61182330000E-04
1.01046320000E-03 1.06227070000E-03 1.11673440000E-03 1.17399050000E-03
1.23418220000E-03 1.29745990000E-03 1.36398200000E-03 1.43391470000E-03
1.50743280000E-03 1.58472030000E-03 1.66597040000E-03 1.75138620000E-03
1.84118130000E-03 1.93558020000E-03 2.03481900000E-03 2.13914570000E-03
2.24882130000E-03 2.36412000000E-03 2.48533000000E-03 2.61275440000E-03
2.74671180000E-03 2.88753710000E-03 3.03558240000E-03 3.19121790000E-03
3.35483260000E-03 3.52683560000E-03 3.70765680000E-03 3.89774840000E-03
4.09758560000E-03 4.30766780000E-03 4.52852040000E-03 4.76069520000E-03
5.00477270000E-03 5.26136290000E-03 5.53110720000E-03 5.81467960000E-03
6.11278900000E-03 6.42618010000E-03 6.75563630000E-03 7.10198060000E-03
7.46607830000E-03 7.84883910000E-03 8.25121910000E-03 8.67422330000E-03
9.11890810000E-03 9.58638400000E-03 1.00778180000E-02 1.05944370000E-02
1.11375300000E-02 1.17084530000E-02 1.23086300000E-02 1.29395580000E-02
1.36028100000E-02 1.43000400000E-02 1.50329850000E-02 1.58034710000E-02
1.66134160000E-02 1.74648340000E-02 1.83598420000E-02 1.93006640000E-02
2.02896380000E-02 2.13292180000E-02 2.24219830000E-02 2.35706420000E-02
2.47780370000E-02 2.60471570000E-02 2.73811360000E-02 2.87832650000E-02
3.02570000000E-02 3.18059660000E-02 3.34339680000E-02 3.51449950000E-02
3.69432330000E-02 3.88330700000E-02 4.08191070000E-02 4.29061640000E-02
4.50992910000E-02 4.74037740000E-02 4.98251500000E-02 5.23692080000E-02
5.50420040000E-02 5.78498660000E-02 6.07994020000E-02 6.38975110000E-02
6.71513850000E-02 7.05685200000E-02 7.41567160000E-02 7.79240860000E-02
8.18790540000E-02 8.60303540000E-02 9.03870340000E-02 9.49584450000E-02
9.97542330000E-02 1.04784330000E-01 1.10058930000E-01 1.15588490000E-01
1.21383660000E-01 1.27455290000E-01 1.33814360000E-01 1.40471940000E-01
1.47439120000E-01 1.54726970000E-01 1.62346390000E-01 1.70308080000E-01
1.78622390000E-01 1.87299190000E-01 1.96347740000E-01 2.05776530000E-01
2.15593070000E-01 2.25803740000E-01 2.36413530000E-01 2.47425830000E-01
2.58842200000E-01 2.70662090000E-01 2.82882590000E-01 2.95498170000E-01
3.08500430000E-01 3.21877850000E-01 3.35615580000E-01 3.49695240000E-01
3.64094790000E-01 3.78788420000E-01 3.93746540000E-01 4.08935770000E-01
4.24319060000E-01 4.39855800000E-01 4.55502060000E-01 4.71210790000E-01
4.86932060000E-01 5.02613270000E-01 5.18199320000E-01 5.33632720000E-01
5.48853520000E-01 5.63799290000E-01 5.78404820000E-01 5.92601880000E-01
6.06318930000E-01 6.19480840000E-01 6.32008720000E-01 6.43819960000E-01
6.54828480000E-01 6.64945200000E-01 6.74078810000E-01 6.82136710000E-01
6.89026140000E-01 6.94655460000E-01 6.98935480000E-01 7.01780810000E-01
7.03111300000E-01 7.02853460000E-01 7.00941860000E-01 6.97320630000E-01
6.91944810000E-01 6.84781770000E-01 6.75812530000E-01 6.65032940000E-01
6.52454780000E-01 6.38106700000E-01 6.22034860000E-01 6.04303390000E-01
5.84994590000E-01 5.64208700000E-01 5.42063470000E-01 5.18693210000E-01
4.94247610000E-01 4.68890120000E-01 4.42796010000E-01 4.16150140000E-01
3.89144520000E-01 3.61975730000E-01 3.34842310000E-01 3.07942100000E-01
2.81469790000E-01 2.55614490000E-01 2.30557360000E-01 2.06469160000E-01
1.83507430000E-01 1.61813170000E-01 1.41506930000E-01 1.22684590000E-01
1.05413500000E-01 8.97300400000E-02 7.56391480000E-02 6.31161190000E-02
5.21099970000E-02 4.25477380000E-02 3.43384900000E-02 2.73777710000E-02
2.15515520000E-02 1.67402560000E-02 1.28225850000E-02 9.67903910000E-03
7.19499650000E-03 5.26324060000E-03 3.78586650000E-03 2.67554730000E-03
1.85616920000E-03 1.26293100000E-03 8.41861070000E-04 5.49141780000E-04
3.50161980000E-04 2.18064220000E-04 1.32477710000E-04 7.84146230000E-05
4.51617100000E-05 2.52728030000E-05 1.37215790000E-05 7.21649280000E-06
3.67023340000E-06 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
</PP_PSWFC>
<PP_RHOATOM>
3.07530161098E-07 3.39873387439E-07 3.75618180356E-07 4.15122296710E-07
4.58781090169E-07 5.07031522817E-07 5.60356490958E-07 6.19289688679E-07
6.84420938409E-07 7.56402076516E-07 8.35953541595E-07 9.23871471504E-07
1.02103587855E-06 1.12841904008E-06 1.24709572014E-06 1.37825369409E-06
1.52320570280E-06 1.68340219211E-06 1.86044689632E-06 2.05611136688E-06
2.27235364652E-06 2.51133842923E-06 2.77545737368E-06 3.06735362155E-06
3.38994857947E-06 3.74647071063E-06 4.14048836276E-06 4.57594432583E-06
5.05719723933E-06 5.58906337440E-06 6.17686520890E-06 6.82648555472E-06
7.54442571226E-06 8.33787050388E-06 9.21476050719E-06 1.01838716853E-05
1.12549017740E-05 1.24385693494E-05 1.37467189466E-05 1.51924425897E-05
1.67902077493E-05 1.85560018752E-05 2.05074970132E-05 2.26642187873E-05
2.50477497787E-05 2.76819395655E-05 3.05931468579E-05 3.38104988507E-05
3.73661893585E-05 4.12957906776E-05 4.56386218179E-05 5.04381284428E-05
5.57423251817E-05 6.16042752177E-05 6.80826166362E-05 7.52421498583E-05
8.31544849362E-05 9.18987581955E-05 1.01562415641E-04 1.12242095347E-04
1.24044574501E-04 1.37087871653E-04 1.51502372477E-04 1.67432161235E-04
1.85036439896E-04 2.04491144002E-04 2.25990638010E-04 2.49749695648E-04
2.76005591189E-04 3.05020426648E-04 3.37083798265E-04 3.72515630841E-04
4.11669410171E-04 4.54935540492E-04 5.02745321652E-04 5.55575164292E-04
6.13951117573E-04 6.78454387783E-04 7.49726608650E-04 8.28476344060E-04
9.15486049000E-04 1.01161947319E-03 1.11783021623E-03 1.23517067355E-03
1.36480246449E-03 1.50800732562E-03 1.66619949628E-03 1.84093890919E-03
2.03394604870E-03 2.24711778944E-03 2.48254557252E-03 2.74253394655E-03
3.02962220434E-03 3.34660699622E-03 3.69656728356E-03 4.08289191200E-03
4.50930850742E-03 4.97991601499E-03 5.49921852790E-03 6.07216317894E-03
6.70417948393E-03 7.40122180937E-03 8.16981591532E-03 9.01710627682E-03
9.95090700142E-03 1.09797558135E-02 1.21129680727E-02 1.33606990205E-02
1.47339929150E-02 1.62448509490E-02 1.79062829422E-02 1.97323659274E-02
2.17382941064E-02 2.39404352454E-02 2.63563503460E-02 2.90048421133E-02
3.19059582093E-02 3.50809865747E-02 3.85524350031E-02 4.23439802988E-02
4.64803718320E-02 5.09873289980E-02 5.58913571671E-02 6.12195413512E-02
6.69992845008E-02 7.32579669632E-02 8.00225597251E-02 8.73191684733E-02
9.51725153102E-02 1.03605350321E-01 1.12637817539E-01 1.22286760879E-01
1.32565016105E-01 1.43480667126E-01 1.55036337762E-01 1.67228463985E-01
1.80046664679E-01 1.93473124794E-01 2.07482126664E-01 2.22039608612E-01
2.37102831056E-01 2.52620099180E-01 2.68530535248E-01 2.84763879855E-01
3.01240186416E-01 3.17869639405E-01 3.34552135799E-01 3.51176988180E-01
3.67622644876E-01 3.83756511127E-01 3.99435022156E-01 4.14504140894E-01
4.28800338219E-01 4.42152119003E-01 4.54382242091E-01 4.65310491130E-01
4.74757021603E-01 4.82546208108E-01 4.88510805203E-01 4.92496305284E-01
4.94365500188E-01 4.94002986234E-01 4.91319491100E-01 4.86256061024E-01
4.78787620086E-01 4.68926072524E-01 4.56722575705E-01 4.42268811285E-01
4.25697239945E-01 4.07180160585E-01 3.86927367055E-01 3.65182587165E-01
3.42218670329E-01 3.18331457156E-01 2.93832805508E-01 2.69042646100E-01
2.44280699991E-01 2.19857944634E-01 1.96068306472E-01 1.73180939022E-01
1.51433457446E-01 1.31026429109E-01 1.12119372566E-01 9.48283369524E-02
7.92252426826E-02 6.53387674980E-02 5.31566962502E-02 4.26295140311E-02
3.36749768652E-02 2.61835019854E-02 2.00242112380E-02 1.50515086235E-02
1.11120059822E-02 8.05148007840E-03 5.72128071017E-03 3.98364447762E-03
2.71545178734E-03 1.81031000892E-03 1.17913189548E-03 7.49542344928E-04
4.64469393609E-04 2.80236170946E-04 1.64418686082E-04 9.36837978993E-05
5.17679746350E-05 2.77017016135E-05 1.43327851558E-05 7.15855335454E-06
3.44536409903E-06 1.59499471076E-06 7.08730061182E-07 3.01556694542E-07
1.22613412238E-07 4.75520040442E-08 1.75503436468E-08 6.14885310023E-09
2.03958005012E-09 6.38714571477E-10 1.88281730253E-10 5.20777683325E-11
1.34706132105E-11 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
</PP_RHOATOM>

2520
pseudo/H.pbe-rrkjus.UPF
View File

File diff suppressed because it is too large Load Diff

219
pseudo/H.pz-vbc.UPF
View File

@ -1,219 +0,0 @@
<PP_INFO>
Generated using "fitcar" code (Von Barth-Car method)
Author: Paolo Giannozzi Generation date: long time ago
Info: automatically converted from PWSCF format
0 The Pseudo was generated with a Non-Relativistic Calculation
0.00000000000E+00 Local Potential cutoff radius
nl pn l occ Rcut Rcut US E pseu
1S 0 0 1.00 0.00000000000 0.00000000000 0.00000000000
</PP_INFO>
<PP_HEADER>
0 Version Number
H Element
NC Norm - Conserving pseudopotential
F Nonlinear Core Correction
SLA PZ NOGX NOGC PZ Exchange-Correlation functional
1.00000000000 Z valence
0.00000000000 Total energy
0.0000000 0.0000000 Suggested cutoff for wfc and rho
-1 Max angular momentum component
131 Number of points in mesh
1 0 Number of Wavefunctions, Number of Projectors
Wavefunctions nl l occ
1S 0 1.00
</PP_HEADER>
<PP_MESH>
<PP_R>
1.83156388887E-02 1.94968961086E-02 2.07543378737E-02 2.20928776651E-02
2.35177458560E-02 2.50345101500E-02 2.66490973364E-02 2.83678164497E-02
3.01973834223E-02 3.21449473269E-02 3.42181183117E-02 3.64249973374E-02
3.87742078317E-02 4.12749293858E-02 4.39369336234E-02 4.67706223840E-02
4.97870683679E-02 5.29980584034E-02 5.64161395038E-02 6.00546678953E-02
6.39278612067E-02 6.80508540250E-02 7.24397570343E-02 7.71117199683E-02
8.20849986239E-02 8.73790261954E-02 9.30144892107E-02 9.90134083638E-02
1.05399224562E-01 1.12196890520E-01 1.19432968267E-01 1.27135732932E-01
1.35335283237E-01 1.44063659101E-01 1.53354966845E-01 1.63245512454E-01
1.73773943450E-01 1.84981399907E-01 1.96911675204E-01 2.09611387151E-01
2.23130160148E-01 2.37520819095E-01 2.52839595805E-01 2.69146348729E-01
2.86504796860E-01 3.04982768711E-01 3.24652467358E-01 3.45590752577E-01
3.67879441171E-01 3.91605626677E-01 4.16862019679E-01 4.43747310081E-01
4.72366552741E-01 5.02831577971E-01 5.35261428519E-01 5.69782824731E-01
6.06530659713E-01 6.45648526428E-01 6.87289278791E-01 7.31615628947E-01
7.78800783071E-01 8.29029118180E-01 8.82496902585E-01 9.39413062813E-01
1.00000000000E+00 1.06449445892E+00 1.13314845307E+00 1.20623024942E+00
1.28402541669E+00 1.36683794117E+00 1.45499141462E+00 1.54883029863E+00
1.64872127070E+00 1.75505465696E+00 1.86824595743E+00 1.98873746958E+00
2.11700001661E+00 2.25353478721E+00 2.39887529397E+00 2.55358945806E+00
2.71828182846E+00 2.89359594417E+00 3.08021684892E+00 3.27887376794E+00
3.49034295746E+00 3.71545073794E+00 3.95507672292E+00 4.21015725614E+00
4.48168907034E+00 4.77073318197E+00 5.07841903718E+00 5.40594892514E+00
5.75460267601E+00 6.12574266188E+00 6.52081912033E+00 6.94137582120E+00
7.38905609893E+00 7.86560927394E+00 8.37289748813E+00 8.91290298120E+00
9.48773583636E+00 1.00996422255E+01 1.07510131861E+01 1.14443939643E+01
1.21824939607E+01 1.29681973170E+01 1.38045741861E+01 1.46948927288E+01
1.56426318842E+01 1.66514949636E+01 1.77254241215E+01 1.88686157593E+01
2.00855369232E+01 2.13809427591E+01 2.27598950935E+01 2.42277822126E+01
2.57903399172E+01 2.74536739355E+01 2.92242837812E+01 3.11090881510E+01
3.31154519587E+01 3.52512151146E+01 3.75247231596E+01 3.99448598758E+01
4.25210820001E+01 4.52634561763E+01 4.81826982911E+01 5.12902153466E+01
5.45981500331E+01 5.81194281774E+01 6.18678092504E+01
</PP_R>
<PP_RAB>
1.14472743055E-03 1.21855600679E-03 1.29714611711E-03 1.38080485407E-03
1.46985911600E-03 1.56465688437E-03 1.66556858352E-03 1.77298852811E-03
1.88733646389E-03 2.00905920793E-03 2.13863239448E-03 2.27656233359E-03
2.42338798948E-03 2.57968308661E-03 2.74605835146E-03 2.92316389900E-03
3.11169177299E-03 3.31237865021E-03 3.52600871899E-03 3.75341674346E-03
3.99549132542E-03 4.25317837656E-03 4.52748481464E-03 4.81948249802E-03
5.13031241399E-03 5.46118913721E-03 5.81340557567E-03 6.18833802274E-03
6.58745153512E-03 7.01230565752E-03 7.46456051667E-03 7.94598330825E-03
8.45845520229E-03 9.00397869384E-03 9.58468542781E-03 1.02028445284E-02
1.08608714657E-02 1.15613374942E-02 1.23069797003E-02 1.31007116969E-02
1.39456350093E-02 1.48450511935E-02 1.58024747378E-02 1.68216467956E-02
1.79065498038E-02 1.90614230444E-02 2.02907792099E-02 2.15994220361E-02
2.29924650732E-02 2.44753516673E-02 2.60538762299E-02 2.77342068801E-02
2.95229095463E-02 3.14269736232E-02 3.34538392824E-02 3.56114265457E-02
3.79081662320E-02 4.03530329017E-02 4.29555799244E-02 4.57259768092E-02
4.86750489420E-02 5.18143198863E-02 5.51560564115E-02 5.87133164258E-02
6.25000000000E-02 6.65309036824E-02 7.08217783167E-02 7.53893905888E-02
8.02515885430E-02 8.54273713234E-02 9.09369634136E-02 9.68018936646E-02
1.03045079419E-01 1.09690916060E-01 1.16765372340E-01 1.24296091849E-01
1.32312501038E-01 1.40845924201E-01 1.49929705873E-01 1.59599341129E-01
1.69892614279E-01 1.80849746511E-01 1.92513553057E-01 2.04929610496E-01
2.18146434841E-01 2.32215671121E-01 2.47192295183E-01 2.63134828509E-01
2.80105566896E-01 2.98170823873E-01 3.17401189824E-01 3.37871807821E-01
3.59662667250E-01 3.82858916368E-01 4.07551195021E-01 4.33835988825E-01
4.61816006183E-01 4.91600579622E-01 5.23306093008E-01 5.57056436325E-01
5.92983489772E-01 6.31227639093E-01 6.71938324130E-01 7.15274622771E-01
7.61405872544E-01 8.10512332311E-01 8.62785886629E-01 9.18430795549E-01
9.77664492762E-01 1.04071843523E+00 1.10783900759E+00 1.17928848495E+00
1.25534605770E+00 1.33630892245E+00 1.42249344335E+00 1.51423638829E+00
1.61189624482E+00 1.71585462097E+00 1.82651773633E+00 1.94431800944E+00
2.06971574742E+00 2.20320094466E+00 2.34529519748E+00 2.49655374224E+00
2.65756762500E+00 2.82896601102E+00 3.01141864319E+00 3.20563845916E+00
3.41238437707E+00 3.63246426109E+00 3.86673807815E+00
</PP_RAB>
</PP_MESH>
<PP_LOCAL>
-1.28520734427E+01 -1.28477738461E+01 -1.28429043374E+01 -1.28373897623E+01
-1.28311451659E+01 -1.28240745458E+01 -1.28160694557E+01 -1.28070074434E+01
-1.27967503082E+01 -1.27851421602E+01 -1.27720072639E+01 -1.27571476510E+01
-1.27403404858E+01 -1.27213351692E+01 -1.26998501721E+01 -1.26755695914E+01
-1.26481394325E+01 -1.26171636282E+01 -1.25821998225E+01 -1.25427549619E+01
-1.24982807663E+01 -1.24481691770E+01 -1.23917479276E+01 -1.23282764256E+01
-1.22569422046E+01 -1.21768582750E+01 -1.20870617994E+01 -1.19865146239E+01
-1.18741063179E+01 -1.17486605129E+01 -1.16089454723E+01 -1.14536899624E+01
-1.12816056190E+01 -1.10914170789E+01 -1.08819011471E+01 -1.06519361513E+01
-1.04005623252E+01 -1.01270535093E+01 -9.83099956200E+00 -9.51239758030E+00
-9.17174826485E+00 -8.81015154043E+00 -8.42939293729E+00 -8.03200948773E+00
-7.62132142072E+00 -7.20141440844E+00 -6.77705742491E+00 -6.35354445007E+00
-5.93645523944E+00 -5.53134165780E+00 -5.14336112886E+00 -4.77689553020E+00
-4.43520848186E+00 -4.12020105875E+00 -3.83231994255E+00 -3.57064956816E+00
-3.33318260449E+00 -3.11721972628E+00 -2.91981450742E+00 -2.73816754273E+00
-2.56989350774E+00 -2.41313003425E+00 -2.26650901749E+00 -2.12904646842E+00
-2.00001310323E+00 -1.87882857167E+00 -1.76499416977E+00 -1.65805827847E+00
-1.55760156978E+00 -1.46323125812E+00 -1.37457855759E+00 -1.29129705286E+00
-1.21306131943E+00 -1.13956564946E+00 -1.07052285704E+00 -1.00566315594E+00
-9.44733105482E-01 -8.87494620162E-01 -8.33724039357E-01 -7.83211253354E-01
-7.35758882343E-01 -6.91181505154E-01 -6.49304934717E-01 -6.09965537422E-01
-5.73009593720E-01 -5.38292697458E-01 -5.05679191609E-01 -4.75041638191E-01
-4.46260320297E-01 -4.19222774302E-01 -3.93823350408E-01 -3.69962799815E-01
-3.47547886901E-01 -3.26491024908E-01 -3.06709933690E-01 -2.88127318203E-01
-2.70670566473E-01 -2.54271465864E-01 -2.38865936533E-01 -2.24393781041E-01
-2.10798449124E-01 -1.98026816728E-01 -1.86028978421E-01 -1.74758052391E-01
-1.64169997248E-01 -1.54223439937E-01 -1.44879514069E-01 -1.36101708050E-01
-1.27855722413E-01 -1.20109335791E-01 -1.12832279008E-01 -1.05996116807E-01
-9.95741367357E-02 -9.35412447679E-02 -8.78738672468E-02 -8.25498587716E-02
-7.75484156634E-02 -7.28499946747E-02 -6.84362366233E-02 -6.42898946538E-02
-6.03947668446E-02 -5.67356328994E-02 -5.32981946727E-02 -5.00690202999E-02
-4.70354917120E-02 -4.41857553301E-02 -4.15086757474E-02 -3.89937922172E-02
-3.66312777775E-02 -3.44119008517E-02 -3.23269891763E-02
</PP_LOCAL>
<PP_NONLOCAL>
<PP_DIJ>
0 Number of nonzero Dij
</PP_DIJ>
</PP_NONLOCAL>
<PP_PSWFC>
1S 0 1.00 Wavefunction
2.88417980000E-02 3.06992250000E-02 3.26758880000E-02 3.47793630000E-02
3.70176890000E-02 3.93993980000E-02 4.19335360000E-02 4.46296930000E-02
4.74980260000E-02 5.05492900000E-02 5.37948600000E-02 5.72467610000E-02
6.09176880000E-02 6.48210330000E-02 6.89709010000E-02 7.33821290000E-02
7.80702990000E-02 8.30517390000E-02 8.83435240000E-02 9.39634680000E-02
9.99300930000E-02 1.06262600000E-01 1.12980800000E-01 1.20105060000E-01
1.27656180000E-01 1.35655270000E-01 1.44123610000E-01 1.53082380000E-01
1.62552520000E-01 1.72554300000E-01 1.83107100000E-01 1.94228900000E-01
2.05935850000E-01 2.18241720000E-01 2.31157310000E-01 2.44689750000E-01
2.58841850000E-01 2.73611310000E-01 2.88989960000E-01 3.04963070000E-01
3.21508570000E-01 3.38596550000E-01 3.56188710000E-01 3.74238100000E-01
3.92689030000E-01 4.11477200000E-01 4.30530040000E-01 4.49767230000E-01
4.69101320000E-01 4.88438290000E-01 5.07678040000E-01 5.26714510000E-01
5.45435510000E-01 5.63722120000E-01 5.81447800000E-01 5.98477370000E-01
6.14666190000E-01 6.29859740000E-01 6.43894030000E-01 6.56596810000E-01
6.67789700000E-01 6.77290980000E-01 6.84919040000E-01 6.90496050000E-01
6.93851860000E-01 6.94828030000E-01 6.93282060000E-01 6.89091610000E-01
6.82158800000E-01 6.72414560000E-01 6.59822730000E-01 6.44383970000E-01
6.26139280000E-01 6.05172840000E-01 5.81614290000E-01 5.55639920000E-01
5.27472870000E-01 4.97381950000E-01 4.65679080000E-01 4.32715040000E-01
3.98873460000E-01 3.64563110000E-01 3.30208380000E-01 2.96238340000E-01
2.63074440000E-01 2.31117590000E-01 2.00735080000E-01 1.72248160000E-01
1.45921080000E-01 1.21952430000E-01 1.00469460000E-01 8.15259110000E-02
6.51037310000E-02 5.11184740000E-02 3.94280920000E-02 2.98443810000E-02
2.21461340000E-02 1.60929310000E-02 1.14384770000E-02 7.94251530000E-03
5.38057890000E-03 3.55111180000E-03 2.27982720000E-03 1.42143930000E-03
8.59150620000E-04 5.02420710000E-04 2.83624610000E-04 1.54298730000E-04
8.07158740000E-05 4.05091800000E-05 1.94783590000E-05 9.00917540000E-06
4.14767900000E-06 1.81282520000E-06 7.49686700000E-07 2.92297650000E-07
1.07038760000E-07 3.66664760000E-08 1.16987270000E-08 3.46064980000E-09
9.44509430000E-10 2.36607150000E-10 5.41028540000E-11 1.12260320000E-11
2.10050760000E-12 3.52060130000E-13 5.24831520000E-14 6.90637980000E-15
7.95818150000E-16 7.96141140000E-17 6.85203010000E-18
</PP_PSWFC>
<PP_RHOATOM>
8.31849311873E-04 9.42442415601E-04 1.06771365659E-03 1.20960409069E-03
1.37030929890E-03 1.55231256276E-03 1.75842144146E-03 1.99180949727E-03
2.25606247390E-03 2.55523071950E-03 2.89388696242E-03 3.27719164499E-03
3.71096471127E-03 4.20176631919E-03 4.75698518475E-03 5.38493685657E-03
6.09497158595E-03 6.89759135092E-03 7.80457823274E-03 8.82913331859E-03
9.98602348699E-03 1.12917401588E-02 1.27646611686E-02 1.44252254376E-02
1.62961002922E-02 1.84023522788E-02 2.07716149594E-02 2.34342150665E-02
2.64233217584E-02 2.97749864485E-02 3.35282100704E-02 3.77248655952E-02
4.24095743152E-02 4.76294483486E-02 5.34337019664E-02 5.98730737551E-02
6.69991033114E-02 7.48631489599E-02 8.35151969808E-02 9.30024740638E-02
1.03367760583E-01 1.14647623672E-01 1.26870397131E-01 1.40054155492E-01
1.54204674282E-01 1.69313486120E-01 1.85356115342E-01 2.02290561182E-01
2.20056048426E-01 2.38571963138E-01 2.57736992298E-01 2.77428175045E-01
2.97499895569E-01 3.17782628577E-01 3.38081544125E-01 3.58175162402E-01
3.77814525129E-01 3.96723292073E-01 4.14599521870E-01 4.31119370902E-01
4.45943083426E-01 4.58723071589E-01 4.69114091355E-01 4.76784795066E-01
4.81430403625E-01 4.82785991274E-01 4.80640014718E-01 4.74847246972E-01
4.65340628417E-01 4.52141340500E-01 4.35366035025E-01 4.15230700793E-01
3.92050397959E-01 3.66234166274E-01 3.38275182332E-01 3.08735720698E-01
2.78227628586E-01 2.47388804186E-01 2.16857005550E-01 1.87242305842E-01
1.59100037092E-01 1.32906261173E-01 1.09037574222E-01 8.77571540860E-02
6.92081609813E-02 5.34153404074E-02 4.02945723426E-02 2.96694286234E-02
2.12929615884E-02 1.48723951829E-02 1.00941123927E-02 6.64647416438E-03
4.23849579012E-03 2.61309838409E-03 1.55457443876E-03 8.90687077273E-04
4.90451251146E-04 2.58982428171E-04 1.30838756080E-04 6.30835492907E-05
2.89506292991E-05 1.26103950161E-05 5.19761206186E-06 2.02048968358E-06
7.38139787846E-07 2.52426569837E-07 8.04429193977E-08 2.38080980796E-08
6.51505231558E-09 1.64099366427E-09 3.79406469333E-10 8.11652413880E-11
1.72032410870E-11 3.28633520576E-12 5.62030148157E-13 8.54379161955E-14
1.14572961423E-14 1.34443046226E-15 1.36860213421E-16 1.19760970382E-17
8.92098063359E-19 5.59829434311E-20 2.92711881095E-21 1.26023794465E-22
4.41213217766E-24 1.23946335136E-25 2.75448124386E-27 4.76980819418E-29
6.33326527869E-31 6.33840714800E-33 4.69503164913E-35
</PP_RHOATOM>

1633
pseudo/H.tpss-mt.UPF
View File

File diff suppressed because it is too large Load Diff

445
pseudo/Mg.pz-n-vbc.UPF
View File

@ -1,445 +0,0 @@
<PP_INFO>
Generated using ld1 code
Author: Stefano de Gironcoli Generation date: before 1998
Info: Mg LDA 3s2 3p0 VonBarth-Car, l=2 local, core correction
0 The Pseudo was generated with a Non-Relativistic Calculation
0.00000000000E+00 Local Potential cutoff radius
nl pn l occ Rcut Rcut US E pseu
3S 0 0 2.00 0.00000000000 0.00000000000 0.00000000000
3P 0 1 0.00 0.00000000000 0.00000000000 0.00000000000
</PP_INFO>
<PP_HEADER>
0 Version Number
Mg Element
NC Norm - Conserving pseudopotential
T Nonlinear Core Correction
SLA PZ NOGX NOGC PZ Exchange-Correlation functional
2.00000000000 Z valence
0.00000000000 Total energy
0.0000000 0.0000000 Suggested cutoff for wfc and rho
1 Max angular momentum component
171 Number of points in mesh
2 2 Number of Wavefunctions, Number of Projectors
Wavefunctions nl l occ
3S 0 2.00
3P 1 0.00
</PP_HEADER>
<PP_MESH>
<PP_R>
1.52630324073E-03 1.62474134238E-03 1.72952815614E-03 1.84107313876E-03
1.95981215467E-03 2.08620917916E-03 2.22075811136E-03 2.36398470414E-03
2.51644861853E-03 2.67874561057E-03 2.85150985931E-03 3.03541644478E-03
3.23118398598E-03 3.43957744882E-03 3.66141113528E-03 3.89755186533E-03
4.14892236399E-03 4.41650486695E-03 4.70134495865E-03 5.00455565794E-03
5.32732176723E-03 5.67090450208E-03 6.03664641952E-03 6.42597666403E-03
6.84041655199E-03 7.28158551629E-03 7.75120743422E-03 8.25111736365E-03
8.78326871349E-03 9.34974087670E-03 9.95274735556E-03 1.05946444110E-02
1.12779402697E-02 1.20053049251E-02 1.27795805704E-02 1.36037927045E-02
1.44811619542E-02 1.54151166589E-02 1.64093062670E-02 1.74676155959E-02
1.85941800124E-02 1.97934015913E-02 2.10699663171E-02 2.24288623941E-02
2.38753997383E-02 2.54152307259E-02 2.70543722799E-02 2.87992293814E-02
3.06566200976E-02 3.26338022231E-02 3.47385016399E-02 3.69789425068E-02
3.93638793951E-02 4.19026314976E-02 4.46051190432E-02 4.74819020609E-02
5.05442216427E-02 5.38040438690E-02 5.72741065659E-02 6.09679690789E-02
6.49000652560E-02 6.90857598484E-02 7.35414085487E-02 7.82844219011E-02
8.33333333333E-02 8.87078715765E-02 9.44290377556E-02 1.00519187452E-01
1.07002118057E-01 1.13903161764E-01 1.21249284552E-01 1.29069191553E-01
1.37393439225E-01 1.46254554747E-01 1.55687163119E-01 1.65728122465E-01
1.76416668051E-01 1.87794565601E-01 1.99906274497E-01 2.12799121505E-01
2.26523485705E-01 2.41132995348E-01 2.56684737410E-01 2.73239480662E-01
2.90861913122E-01 3.09620894828E-01 3.29589726910E-01 3.50846438012E-01
3.73474089195E-01 3.97561098497E-01 4.23201586432E-01 4.50495743762E-01
4.79550223000E-01 5.10478555157E-01 5.43401593361E-01 5.78447985100E-01
6.15754674911E-01 6.55467439495E-01 6.97741457344E-01 7.42741915100E-01
7.90644653030E-01 8.41636852123E-01 8.95917765506E-01 9.53699497028E-01
1.01520783006E+00 1.08068310975E+00 1.15038118217E+00 1.22457439407E+00
1.30355265702E+00 1.38762458030E+00 1.47711867679E+00 1.57238464661E+00
1.67379474360E+00 1.78174522993E+00 1.89665792446E+00 2.01898185105E+00
2.14919499310E+00 2.28780616129E+00 2.43535698177E+00 2.59242401258E+00
2.75962099656E+00 2.93760125955E+00 3.12706026330E+00 3.32873832299E+00
3.54342350001E+00 3.77195468135E+00 4.01522485759E+00 4.27418461222E+00
4.54984583610E+00 4.84328568145E+00 5.15565077086E+00 5.48816167770E+00
5.84211769556E+00 6.21890191527E+00 6.61998662936E+00 7.04693908506E+00
7.50142760838E+00 7.98522812309E+00 8.50023109022E+00 9.04844889507E+00
9.63202371060E+00 1.02532358681E+01 1.09145127676E+01 1.16184383629E+01
1.23677632585E+01 1.31654154579E+01 1.40145118043E+01 1.49183701601E+01
1.58805223716E+01 1.69047280692E+01 1.79949893592E+01 1.91555664612E+01
2.03909943554E+01 2.17061005031E+01 2.31060237103E+01 2.45962342072E+01
2.61825550238E+01 2.78711847432E+01 2.96687217226E+01 3.15821898768E+01
3.36190661244E+01 3.57873096034E+01 3.80953927724E+01 4.05523345165E+01
4.31677353890E+01 4.59518151257E+01 4.89154525785E+01 5.20702282252E+01
5.54284694204E+01 5.90032985643E+01 6.28086843795E+01
</PP_R>
<PP_RAB>
9.53939525455E-05 1.01546333899E-04 1.08095509759E-04 1.15067071172E-04
1.22488259667E-04 1.30388073698E-04 1.38797381960E-04 1.47749044009E-04
1.57278038658E-04 1.67421600661E-04 1.78219366207E-04 1.89713527799E-04
2.01948999124E-04 2.14973590551E-04 2.28838195955E-04 2.43596991583E-04
2.59307647749E-04 2.76031554184E-04 2.93834059916E-04 3.12784728621E-04
3.32957610452E-04 3.54431531380E-04 3.77290401220E-04 4.01623541502E-04
4.27526034499E-04 4.55099094768E-04 4.84450464639E-04 5.15694835228E-04
5.48954294593E-04 5.84358804793E-04 6.22046709722E-04 6.62165275688E-04
7.04871266857E-04 7.50331557820E-04 7.98723785651E-04 8.50237044031E-04
9.05072622138E-04 9.63444791184E-04 1.02558164169E-03 1.09172597475E-03
1.16213625077E-03 1.23708759946E-03 1.31687289482E-03 1.40180389963E-03
1.49221248365E-03 1.58845192037E-03 1.69089826749E-03 1.79995183634E-03
1.91603875610E-03 2.03961263894E-03 2.17115635249E-03 2.31118390667E-03
2.46024246219E-03 2.61891446860E-03 2.78781994020E-03 2.96761887881E-03
3.15901385267E-03 3.36275274181E-03 3.57963166037E-03 3.81049806743E-03
4.05625407850E-03 4.31785999052E-03 4.59633803429E-03 4.89277636882E-03
5.20833333333E-03 5.54424197353E-03 5.90181485972E-03 6.28244921573E-03
6.68763237858E-03 7.11894761028E-03 7.57808028447E-03 8.06682447205E-03
8.58708995156E-03 9.14090967167E-03 9.73044769496E-03 1.03580076541E-02
1.10260417532E-02 1.17371603501E-02 1.24941421561E-02 1.32999450941E-02
1.41577178566E-02 1.50708122092E-02 1.60427960881E-02 1.70774675413E-02
1.81788695701E-02 1.93513059268E-02 2.05993579319E-02 2.19279023757E-02
2.33421305747E-02 2.48475686561E-02 2.64500991520E-02 2.81559839851E-02
2.99718889375E-02 3.19049096973E-02 3.39625995851E-02 3.61529990687E-02
3.84846671819E-02 4.09667149685E-02 4.36088410840E-02 4.64213696937E-02
4.94152908144E-02 5.26023032577E-02 5.59948603441E-02 5.96062185642E-02
6.34504893787E-02 6.75426943592E-02 7.18988238858E-02 7.65358996291E-02
8.14720410635E-02 8.67265362688E-02 9.23199172993E-02 9.82740404128E-02
1.04612171475E-01 1.11359076870E-01 1.18541120279E-01 1.26186365691E-01
1.34324687069E-01 1.42987885081E-01 1.52209811361E-01 1.62026500786E-01
1.72476312285E-01 1.83600078722E-01 1.95441266456E-01 2.08046145187E-01
2.21463968750E-01 2.35747167585E-01 2.50951553599E-01 2.67136538263E-01
2.84365364756E-01 3.02705355091E-01 3.22228173179E-01 3.43010104856E-01
3.65132355972E-01 3.88681369704E-01 4.13749164335E-01 4.40433692816E-01
4.68839225524E-01 4.99076757693E-01 5.31264443139E-01 5.65528055942E-01
6.02001481912E-01 6.40827241756E-01 6.82157047973E-01 7.26152397679E-01
7.72985203659E-01 8.22838466121E-01 8.75906987770E-01 9.32398135009E-01
9.92532648222E-01 1.05654550433E+00 1.12468683495E+00 1.19722290382E+00
1.27443714721E+00 1.35663128144E+00 1.44412648189E+00 1.53726463795E+00
1.63640968899E+00 1.74194904645E+00 1.85429510766E+00 1.97388686730E+00
2.10119163277E+00 2.23670685021E+00 2.38096204828E+00 2.53452090728E+00
2.69798346181E+00 2.87198844535E+00 3.05721578615E+00 3.25438926408E+00
3.46427933877E+00 3.68770616027E+00 3.92554277372E+00
</PP_RAB>
</PP_MESH>
<PP_NLCC>
4.79480122393E-02 4.79480138690E-02 4.79480157156E-02 4.79480178080E-02
4.79480201791E-02 4.79480228658E-02 4.79480259103E-02 4.79480293601E-02
4.79480332692E-02 4.79480376987E-02 4.79480427180E-02 4.79480484055E-02
4.79480548502E-02 4.79480621529E-02 4.79480704278E-02 4.79480798043E-02
4.79480904290E-02 4.79481024680E-02 4.79481161097E-02 4.79481315671E-02
4.79481490821E-02 4.79481689283E-02 4.79481914158E-02 4.79482168961E-02
4.79482457673E-02 4.79482784803E-02 4.79483155460E-02 4.79483575430E-02
4.79484051270E-02 4.79484590404E-02 4.79485201240E-02 4.79485893305E-02
4.79486677382E-02 4.79487565686E-02 4.79488572045E-02 4.79489712114E-02
4.79491003618E-02 4.79492466614E-02 4.79494123804E-02 4.79496000875E-02
4.79498126883E-02 4.79500534692E-02 4.79503261463E-02 4.79506349201E-02
4.79509845371E-02 4.79513803592E-02 4.79518284402E-02 4.79523356125E-02
4.79529095819E-02 4.79535590349E-02 4.79542937553E-02 4.79551247542E-02
4.79560644118E-02 4.79571266324E-02 4.79583270118E-02 4.79596830175E-02
4.79612141805E-02 4.79629422950E-02 4.79648916255E-02 4.79670891132E-02
4.79695645769E-02 4.79723508962E-02 4.79754841631E-02 4.79790037831E-02
4.79829524979E-02 4.79873762949E-02 4.79923241574E-02 4.79978475914E-02
4.80039998515E-02 4.80108347578E-02 4.80184049711E-02 4.80267595493E-02
4.80359405629E-02 4.80459784839E-02 4.80568859869E-02 4.80686497041E-02
4.80812193630E-02 4.80944935886E-02 4.81083014848E-02 4.81223789027E-02
4.81363380645E-02 4.81496289389E-02 4.81614904553E-02 4.81708893164E-02
4.81764438346E-02 4.81763299139E-02 4.81681660725E-02 4.81488743380E-02
4.81145140589E-02 4.80600863336E-02 4.79793080824E-02 4.78643570861E-02
4.77055929535E-02 4.74912644083E-02 4.72072209866E-02 4.68366576606E-02
4.63599343482E-02 4.57545286441E-02 4.49951986408E-02 4.40544514505E-02
4.29034283635E-02 4.15133235415E-02 3.98574411500E-02 3.79139547168E-02
3.56693498215E-02 3.31223963021E-02 3.02883057340E-02 2.72024963859E-02
2.39231491827E-02 2.05315658602E-02 1.71293387495E-02 1.38316287733E-02
1.07565116111E-02 8.01137727336E-03 5.67856409554E-03 3.80337412705E-03
2.38782150242E-03 1.39247440169E-03 7.46556627743E-04 3.63735292877E-04
1.58947714136E-04 6.13793781906E-05 2.05967034466E-05 5.89289944976E-06
1.40694971282E-06 2.73574853834E-07 4.21458215937E-08 4.98611627049E-09
4.37273376097E-10 2.73114211165E-11 1.16103951285E-12 3.19122214433E-14
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
</PP_NLCC>
<PP_LOCAL>
-2.46375822531E+00 -2.46376105779E+00 -2.46376426742E+00 -2.46376790439E+00
-2.46377202562E+00 -2.46377669556E+00 -2.46378198729E+00 -2.46378798358E+00
-2.46379477825E+00 -2.46380247759E+00 -2.46381120204E+00 -2.46382108808E+00
-2.46383229038E+00 -2.46384498415E+00 -2.46385936797E+00 -2.46387566684E+00
-2.46389413570E+00 -2.46391506343E+00 -2.46393877736E+00 -2.46396564838E+00
-2.46399609675E+00 -2.46403059865E+00 -2.46406969363E+00 -2.46411399301E+00
-2.46416418946E+00 -2.46422106780E+00 -2.46428551722E+00 -2.46435854518E+00
-2.46444129312E+00 -2.46453505420E+00 -2.46464129350E+00 -2.46476167080E+00
-2.46489806639E+00 -2.46505261031E+00 -2.46522771543E+00 -2.46542611486E+00
-2.46565090434E+00 -2.46590559014E+00 -2.46619414324E+00 -2.46652106060E+00
-2.46689143445E+00 -2.46731103048E+00 -2.46778637630E+00 -2.46832486121E+00
-2.46893484883E+00 -2.46962580410E+00 -2.47040843648E+00 -2.47129486120E+00
-2.47229878067E+00 -2.47343568854E+00 -2.47472309880E+00 -2.47618080270E+00
-2.47783115657E+00 -2.47969940358E+00 -2.48181403274E+00 -2.48420717873E+00
-2.48691506571E+00 -2.48997849878E+00 -2.49344340596E+00 -2.49736143350E+00
-2.50179059632E+00 -2.50679598452E+00 -2.51245052477E+00 -2.51883579382E+00
-2.52604287731E+00 -2.53417326360E+00 -2.54333975620E+00 -2.55366738107E+00
-2.56529425572E+00 -2.57837237461E+00 -2.59306825026E+00 -2.60956332999E+00
-2.62805408509E+00 -2.64875164018E+00 -2.67188077687E+00 -2.69767810556E+00
-2.72638915408E+00 -2.75826407179E+00 -2.79355159477E+00 -2.83249086673E+00
-2.87530066575E+00 -2.92216555984E+00 -2.97321851732E+00 -3.02851955120E+00
-3.08803010422E+00 -3.15158311641E+00 -3.21884909647E+00 -3.28929908332E+00
-3.36216617190E+00 -3.43640831043E+00 -3.51067634559E+00 -3.58329272964E+00
-3.65224775201E+00 -3.71522133317E+00 -3.76963888204E+00 -3.81276887379E+00
-3.84186695266E+00 -3.85436584388E+00 -3.84810182381E+00 -3.82155731372E+00
-3.77408688414E+00 -3.70608367972E+00 -3.61903956589E+00 -3.51546028128E+00
-3.39862018837E+00 -3.27217902568E+00 -3.13972734403E+00 -3.00436240531E+00
-2.86840328305E+00 -2.73332001832E+00 -2.59988162692E+00 -2.46844825388E+00
-2.33928292206E+00 -2.21276641802E+00 -2.08946043777E+00 -1.97004137255E+00
-1.85517526919E+00 -1.74540445911E+00 -1.64108390382E+00 -1.54237046973E+00
-1.44924931595E+00 -1.36157806922E+00 -1.27913341031E+00 -1.20165041332E+00
-1.12885045416E+00 -1.06045787968E+00 -9.96208180833E-01 -9.35851008838E-01
-8.79150666265E-01 -8.25885620415E-01 -7.75847740231E-01 -7.28841501928E-01
-6.84683227632E-01 -6.43200367927E-01 -6.04230827637E-01 -5.67622332437E-01
-5.33231833836E-01 -5.00924950213E-01 -4.70575441719E-01 -4.42064716990E-01
-4.15281369750E-01 -3.90120743486E-01 -3.66484522505E-01 -3.44280347760E-01
-3.23421455956E-01 -3.03826340519E-01 -2.85418433111E-01 -2.68125804432E-01
-2.51880883161E-01 -2.36620191914E-01 -2.22284099210E-01 -2.08816586453E-01
-1.96165029046E-01 -1.84279990753E-01 -1.73115030529E-01 -1.62626521048E-01
-1.52773478232E-01 -1.43517401103E-01 -1.34822121337E-01 -1.26653661940E-01
-1.18980104480E-01 -1.11771464363E-01 -1.04999573673E-01 -9.86379710981E-02
-9.26617985389E-02 -8.70477039713E-02 -8.17737501985E-02 -7.68193291317E-02
-7.21650812629E-02 -6.77928200174E-02 -6.36854606893E-02
</PP_LOCAL>
<PP_NONLOCAL>
<PP_BETA>
1 0 Beta L
142
1.40510078457E-03 1.49572265296E-03 1.59218909490E-03 1.69487739688E-03
1.80418869490E-03 1.92055015521E-03 2.04441657306E-03 2.17627197109E-03
2.31663163387E-03 2.46604428745E-03 2.62509369659E-03 2.79440171606E-03
2.97462988662E-03 3.16648277572E-03 3.37071015347E-03 3.58811062206E-03
3.81953408001E-03 4.06588491203E-03 4.32812663122E-03 4.60728448250E-03
4.90445007922E-03 5.22078559977E-03 5.55752841612E-03 5.91599557143E-03
6.29758956038E-03 6.70380366524E-03 7.13622742795E-03 7.59655371078E-03
8.08658487060E-03 8.60823993462E-03 9.16356262884E-03 9.75472909152E-03
1.03840571573E-02 1.10540150243E-02 1.17672317699E-02 1.25265076692E-02
1.33348256155E-02 1.41953639204E-02 1.51115084415E-02 1.60868675102E-02
1.71252860000E-02 1.82308633082E-02 1.94079701261E-02 2.06612645418E-02
2.19957165848E-02 2.34166266150E-02 2.49296549303E-02 2.65408363385E-02
2.82566231985E-02 3.00839001113E-02 3.20300311537E-02 3.41028885922E-02
3.63108919179E-02 3.86630569125E-02 4.11690427781E-02 4.38392012715E-02
4.66846447476E-02 4.97173048855E-02 5.29500118073E-02 5.63965751975E-02
6.00718792933E-02 6.39919844626E-02 6.81742538221E-02 7.26374808634E-02
7.74020485404E-02 8.24900973956E-02 8.79257285873E-02 9.37352317392E-02
9.99473361749E-02 1.06593506646E-01 1.13708277535E-01 1.21329630668E-01
1.29499421842E-01 1.38263854184E-01 1.47674017723E-01 1.57786459243E-01
1.68663859313E-01 1.80375632517E-01 1.92998686954E-01 2.06618089273E-01
2.21327632915E-01 2.37230344440E-01 2.54438649787E-01 2.73074138147E-01
2.93266663351E-01 3.15152375928E-01 3.38870336894E-01 3.64557057342E-01
3.92338255825E-01 4.22316698427E-01 4.54555271022E-01 4.89053703907E-01
5.25717793262E-01 5.64320116918E-01 6.04451728526E-01 6.45465953082E-01
6.86417409871E-01 7.26003345171E-01 7.62518564597E-01 7.93841574750E-01
8.17474219323E-01 8.30661312782E-01 8.30611751572E-01 8.14831714007E-01
7.81554199222E-01 7.30210291902E-01 6.61846309809E-01 5.79359411335E-01
4.87425116082E-01 3.92039535209E-01 2.99699467961E-01 2.16368110828E-01
1.46478870049E-01 9.22611567022E-02 5.35959423413E-02 2.84373285262E-02
1.36323149500E-02 5.83285712008E-03 2.19715785487E-03 7.17403407438E-04
1.99494907634E-04 4.63087068473E-05 8.77113744668E-06 1.32084573879E-06
1.53549583172E-07 1.33256777166E-08 8.31035918253E-10 3.56615961806E-11
1.00222393182E-12 1.74346145521E-14 1.81899282303E-16 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00
</PP_BETA>
<PP_BETA>
2 1 Beta L
142
9.43234354425E-07 1.06882490804E-06 1.21113778961E-06 1.37239954024E-06
1.55513317758E-06 1.76219778236E-06 1.99683300370E-06 2.26270992983E-06
2.56398842089E-06 2.90538230257E-06 3.29223304783E-06 3.73059334566E-06
4.22732195601E-06 4.79019086453E-06 5.42800690823E-06 6.15075009193E-06
6.96972883897E-06 7.89775820623E-06 8.94935846391E-06 1.01409851829E-05
1.14912849061E-05 1.30213875018E-05 1.47552361745E-05 1.67199643082E-05
1.89463186784E-05 2.14691420751E-05 2.43279182586E-05 2.75673903782E-05
3.12382639923E-05 3.53979990932E-05 4.01117119528E-05 4.54531970188E-05
5.15060858748E-05 5.83651492205E-05 6.61377989955E-05 7.49457750187E-05
8.49270367600E-05 9.62379475112E-05 1.09055750594E-04 1.23581314265E-04
1.40042344012E-04 1.58696942964E-04 1.79837690800E-04 2.03796267358E-04
2.30948710407E-04 2.61721359191E-04 2.96597618313E-04 3.36125658423E-04
3.80927133126E-04 4.31707109235E-04 4.89265356918E-04 5.54509192801E-04
6.28468092387E-04 7.12310239966E-04 8.07361764974E-04 9.15127915333E-04
1.03731817039E-03 1.17587400084E-03 1.33300142675E-03 1.51120745202E-03
1.71334227806E-03 1.94264763254E-03 2.20281211305E-03 2.49803438570E-03
2.83309652680E-03 3.21344766551E-03 3.64530070278E-03 4.13574348015E-03
4.69286707531E-03 5.32591344128E-03 6.04544566200E-03 6.86354519276E-03
7.79403578327E-03 8.85274399938E-03 1.00577945733E-02 1.14299491053E-02
1.29929870973E-02 1.47741346077E-02 1.68045361710E-02 1.91197719164E-02
2.17604035123E-02 2.47725290858E-02 2.82083229818E-02 3.21265013477E-02
3.65926356671E-02 4.16792160537E-02 4.74652954348E-02 5.40355156087E-02
6.14782538144E-02 6.98825221285E-02 7.93332422422E-02 8.99044671695E-02
1.01650031205E-01 1.14591359884E-01 1.28702190719E-01 1.43890542542E-01
1.59978758142E-01 1.76683354003E-01 1.93597636366E-01 2.10180912972E-01
2.25759280870E-01 2.39542910230E-01 2.50663839674E-01 2.58235601191E-01
2.61432061649E-01 2.59578170094E-01 2.52241950223E-01 2.39315523487E-01
2.21075066977E-01 1.98211913862E-01 1.71827336778E-01 1.43379587992E-01
1.14568681053E-01 8.71505606420E-02 6.26963689799E-02 4.23473846958E-02
2.66409288528E-02 1.54729087370E-02 8.21513933110E-03 3.94331127198E-03
1.68982836950E-03 6.37257140641E-04 2.08022946332E-04 5.76729948225E-05
1.32839261083E-05 2.47735380489E-06 3.62832674919E-07 4.02158775467E-08
3.21833620035E-09 1.74171974086E-10 5.70361875407E-12 8.27330028841E-14
-6.94814905611E-16 -3.53165519051E-17 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00
</PP_BETA>
<PP_DIJ>
2 Number of nonzero Dij
1 1 6.43624460817E+00
2 2 2.41150310849E+01
</PP_DIJ>
</PP_NONLOCAL>
<PP_PSWFC>
3S 0 2.00 Wavefunction
9.66001900000E-05 1.02830440000E-04 1.09462510000E-04 1.16522340000E-04
1.24037510000E-04 1.32037390000E-04 1.40553250000E-04 1.49618370000E-04
1.59268180000E-04 1.69540410000E-04 1.80475200000E-04 1.92115310000E-04
2.04506230000E-04 2.17696410000E-04 2.31737410000E-04 2.46684150000E-04
2.62595080000E-04 2.79532400000E-04 2.97562380000E-04 3.16755540000E-04
3.37186970000E-04 3.58936620000E-04 3.82089620000E-04 4.06736590000E-04
4.32974040000E-04 4.60904740000E-04 4.90638100000E-04 5.22290660000E-04
5.55986520000E-04 5.91857840000E-04 6.30045400000E-04 6.70699140000E-04
7.13978810000E-04 7.60054580000E-04 8.09107780000E-04 8.61331630000E-04
9.16932050000E-04 9.76128570000E-04 1.03915520000E-03 1.10626150000E-03
1.17771360000E-03 1.25379550000E-03 1.33481030000E-03 1.42108140000E-03
1.51295430000E-03 1.61079800000E-03 1.71500720000E-03 1.82600350000E-03
1.94423860000E-03 2.07019560000E-03 2.20439260000E-03 2.34738510000E-03
2.49976920000E-03 2.66218560000E-03 2.83532360000E-03 3.01992540000E-03
3.21679190000E-03 3.42678810000E-03 3.65085020000E-03 3.88999320000E-03
4.14531990000E-03 4.41803090000E-03 4.70943700000E-03 5.02097250000E-03
5.35421170000E-03 5.71088730000E-03 6.09291280000E-03 6.50240860000E-03
6.94173220000E-03 7.41351460000E-03 7.92070330000E-03 8.46661330000E-03
9.05498780000E-03 9.69007020000E-03 1.03766910000E-02 1.11203700000E-02
1.19274430000E-02 1.28052050000E-02 1.37620930000E-02 1.48078990000E-02
1.59540240000E-02 1.72137900000E-02 1.86028090000E-02 2.01394290000E-02
2.18452700000E-02 2.37458610000E-02 2.58714040000E-02 2.82576810000E-02
3.09471300000E-02 3.39900970000E-02 3.74463040000E-02 4.13865190000E-02
4.58944320000E-02 5.10687090000E-02 5.70251380000E-02 6.38987420000E-02
7.18456150000E-02 8.10441530000E-02 9.16951340000E-02 1.04019970000E-01
1.18256160000E-01 1.34648950000E-01 1.53437860000E-01 1.74837100000E-01
1.99009350000E-01 2.26033160000E-01 2.55865940000E-01 2.88306480000E-01
3.22963120000E-01 3.59235010000E-01 3.96314250000E-01 4.33214160000E-01
4.68824010000E-01 5.01984560000E-01 5.31572170000E-01 5.56577040000E-01
5.76162420000E-01 5.89698460000E-01 5.96771990000E-01 5.97179900000E-01
5.90915750000E-01 5.78156380000E-01 5.59250680000E-01 5.34708940000E-01
5.05189450000E-01 4.71479660000E-01 4.34471170000E-01 3.95128600000E-01
3.54453850000E-01 3.13447200000E-01 2.73067180000E-01 2.34191600000E-01
1.97582060000E-01 1.63854860000E-01 1.33460630000E-01 1.06674780000E-01
8.35996550000E-02 6.41780930000E-02 4.82168210000E-02 3.54169610000E-02
2.54082300000E-02 1.77832280000E-02 1.21285920000E-02 8.05055950000E-03
5.19356170000E-03 3.25150170000E-03 1.97232030000E-03 1.15708440000E-03
6.55163210000E-04 3.57138940000E-04 1.87167410000E-04 9.40834730000E-05
4.52389730000E-05 2.07480100000E-05 9.04832550000E-06 3.73990560000E-06
1.45991410000E-06 5.36208430000E-07 1.84555120000E-07 5.92678490000E-08
1.76758300000E-08 4.87093110000E-09 1.23368280000E-09 2.86501050000E-10
6.58098000000E-11 1.37213210000E-11 2.58064710000E-12 4.34910690000E-13
6.52131960000E-14 8.63498790000E-15 1.00160090000E-15
3P 1 0.00 Wavefunction
1.95636530000E-07 2.21685250000E-07 2.51202330000E-07 2.84649570000E-07
3.22550260000E-07 3.65497390000E-07 4.14162880000E-07 4.69308130000E-07
5.31795910000E-07 6.02603880000E-07 6.82839870000E-07 7.73759210000E-07
8.76784400000E-07 9.93527330000E-07 1.12581450000E-06 1.27571570000E-06
1.44557620000E-06 1.63805370000E-06 1.85615950000E-06 2.10330620000E-06
2.38336070000E-06 2.70070480000E-06 3.06030360000E-06 3.46778360000E-06
3.92952040000E-06 4.45273870000E-06 5.04562520000E-06 5.71745670000E-06
6.47874570000E-06 7.34140440000E-06 8.31893140000E-06 9.42662320000E-06
1.06818140000E-05 1.21041450000E-05 1.37158750000E-05 1.55422290000E-05
1.76117890000E-05 1.99569450000E-05 2.26144060000E-05 2.56257660000E-05
2.90381660000E-05 3.29050270000E-05 3.72868890000E-05 4.22523610000E-05
4.78792000000E-05 5.42555290000E-05 6.14812210000E-05 6.96694720000E-05
7.89485780000E-05 8.94639550000E-05 1.01380430000E-04 1.14884840000E-04
1.30188980000E-04 1.47532930000E-04 1.67188910000E-04 1.89465500000E-04
2.14712630000E-04 2.43327060000E-04 2.75758780000E-04 3.12518120000E-04
3.54183940000E-04 4.01412940000E-04 4.54950240000E-04 5.15641360000E-04
5.84446020000E-04 6.62453730000E-04 7.50901670000E-04 8.51195060000E-04
9.64930480000E-04 1.09392250000E-03 1.24023420000E-03 1.40621240000E-03
1.59452750000E-03 1.80822000000E-03 2.05075350000E-03 2.32607630000E-03
2.63869210000E-03 2.99374210000E-03 3.39709960000E-03 3.85548060000E-03
4.37657180000E-03 4.96917900000E-03 5.64340120000E-03 6.41083300000E-03
7.28479990000E-03 8.28063450000E-03 9.41599690000E-03 1.07112480000E-02
1.21898850000E-02 1.38790410000E-02 1.58100610000E-02 1.80191640000E-02
2.05481800000E-02 2.34453790000E-02 2.67663620000E-02 3.05750090000E-02
3.49444310000E-02 3.99578500000E-02 4.57093240000E-02 5.23041290000E-02
5.98586110000E-02 6.84992030000E-02 7.83602640000E-02 8.95803130000E-02
1.02296230000E-01 1.16635000000E-01 1.32702830000E-01 1.50571620000E-01
1.70263430000E-01 1.91734150000E-01 2.14858420000E-01 2.39418260000E-01
2.65098370000E-01 2.91490260000E-01 3.18106340000E-01 3.44402640000E-01
3.69806930000E-01 3.93747430000E-01 4.15677320000E-01 4.35092170000E-01
4.51540000000E-01 4.64626380000E-01 4.74017820000E-01 4.79446120000E-01
4.80715150000E-01 4.77709330000E-01 4.70402960000E-01 4.58868680000E-01
4.43283830000E-01 4.23933540000E-01 4.01209170000E-01 3.75601130000E-01
3.47685350000E-01 3.18103220000E-01 2.87535790000E-01 2.56673840000E-01
2.26186070000E-01 1.96688340000E-01 1.68716680000E-01 1.42706560000E-01
1.18980110000E-01 9.77418420000E-02 7.90825890000E-02 6.29904160000E-02
4.93665930000E-02 3.80445770000E-02 2.88099050000E-02 2.14192700000E-02
1.56174590000E-02 1.11529120000E-02 7.80101380000E-03 5.33805090000E-03
3.56816810000E-03 2.32627190000E-03 1.47674960000E-03 9.11207430000E-04
5.45475840000E-04 3.16164730000E-04 1.77054540000E-04 9.55813330000E-05
4.96208920000E-05 2.47096450000E-05 1.17703900000E-05 5.34774910000E-06
2.31023330000E-06 9.45807630000E-07 3.65655650000E-07 1.32995290000E-07
4.53458230000E-08 1.45043280000E-08 4.59577300000E-09
</PP_PSWFC>
<PP_RHOATOM>
1.86631934161E-08 2.11481987812E-08 2.39640821910E-08 2.71549114382E-08
3.07706077740E-08 3.48677447160E-08 3.95104321711E-08 4.47713132829E-08
5.07327063210E-08 5.74879012459E-08 6.51425956301E-08 7.38165846728E-08
8.36455962176E-08 9.47834538538E-08 1.07404454387E-07 1.21706139722E-07
1.37912352080E-07 1.56276725300E-07 1.77086739983E-07 2.00668144241E-07
2.27390105476E-07 2.57670994354E-07 2.91984955423E-07 3.30869307290E-07
3.74933038628E-07 4.24866358709E-07 4.81451490343E-07 5.45575067046E-07
6.18242020843E-07 7.00591405539E-07 7.93914412122E-07 8.99674672793E-07
1.01953148226E-06 1.15536592916E-06 1.30931079931E-06 1.48378435368E-06
1.68152876863E-06 1.90565397034E-06 2.15968705937E-06 2.44762901276E-06
2.77401864725E-06 3.14400631164E-06 3.56343707397E-06 4.03894469085E-06
4.57806142778E-06 5.18934039361E-06 5.88249939210E-06 6.66857756402E-06
7.56012746746E-06 8.57141964452E-06 9.71869346987E-06 1.10204336154E-05
1.24976921065E-05 1.41744643377E-05 1.60781198334E-05 1.82398988431E-05
2.06955002558E-05 2.34857533646E-05 2.66574143657E-05 3.02640941921E-05
3.43673541467E-05 3.90379940667E-05 4.43575937139E-05 5.04203296915E-05
5.73351658568E-05 6.52284675066E-05 7.42471727768E-05 8.45626352027E-05
9.63752918730E-05 1.09920397449E-04 1.25475081533E-04 1.43367081543E-04
1.63985608116E-04 1.87794920962E-04 2.15351432219E-04 2.47325257874E-04
2.84527793036E-04 3.27946550184E-04 3.78790407481E-04 4.38547745588E-04
5.09061763585E-04 5.92629132328E-04 6.92129005381E-04 8.11193200892E-04
9.54431642746E-04 1.12773182926E-03 1.33865908986E-03 1.59699307100E-03
1.91544971047E-03 2.31065338814E-03 2.80445136652E-03 3.42568790987E-03
4.21259777721E-03 5.21602607785E-03 6.50373272784E-03 8.16609845837E-03
1.03235847895E-02 1.31363094710E-02 1.68159951986E-02 2.16403083176E-02
2.79690387559E-02 3.62606794722E-02 4.70863537628E-02 6.11360230728E-02
7.92094427748E-02 1.02181978839E-01 1.30934758504E-01 1.66241252820E-01
2.08610353760E-01 2.58099584819E-01 3.14129969506E-01 3.75349016849E-01
4.39591904705E-01 5.03976996957E-01 5.65137943837E-01 6.19556002910E-01
6.63926268441E-01 6.95488547453E-01 7.12273616097E-01 7.13247665928E-01
6.98362847196E-01 6.68529599469E-01 6.25522646161E-01 5.71827301032E-01
5.10432760783E-01 4.44586139587E-01 3.77530395122E-01 3.12253221076E-01
2.51275063560E-01 1.96498294376E-01 1.49131369586E-01 1.09691411021E-01
7.80773408677E-02 5.36968302912E-02 3.56234795200E-02 2.27590173761E-02
1.39778046322E-02 8.23765524223E-03 4.64972365469E-03 2.50872225295E-03
1.29115630347E-03 6.32486396200E-04 2.94205487805E-04 1.29623016526E-04
5.39461662634E-05 2.11445266102E-05 7.78009473158E-06 2.67768861745E-06
8.58477663475E-07 2.55096444929E-07 7.00632787322E-08 1.77033997835E-08
4.09312935619E-09 8.60959837920E-10 1.63744388708E-10 2.79737877938E-11
4.26269835876E-12 5.75038960806E-13 6.81211846364E-14 7.02535585017E-15
6.24869932378E-16 4.74519395619E-17 3.04394650203E-18 1.64165703302E-19
8.66185955208E-21 3.76549299970E-22 1.33194789095E-23 3.78294616553E-25
8.50552186507E-27 1.49126032066E-28 2.00640872576E-30
</PP_RHOATOM>

550
pseudo/N.blyp-mt.UPF
View File

@ -1,550 +0,0 @@
<PP_INFO>
Generated using ld1 code (trou)
Author: P. Giannozzi Generation date: 2001
Info: Nitrogen BLYP 2s2 2p3 l=1 local Martins-Troullier
0 The Pseudo was generated with a Non-Relativistic Calculation
0.00000000000E+00 Local Potential cutoff radius
nl pn l occ Rcut Rcut US E pseu
2S 0 0 2.00 1.23000000000 0.00000000000 0.00000000000
2P 0 1 3.00 1.23000000000 0.00000000000 0.00000000000
</PP_INFO>
<PP_HEADER>
0 Version Number
N Element
NC Norm - Conserving pseudopotential
F Nonlinear Core Correction
SLA LYP B88 BLYP BLYP Exchange-Correlation functional
5.00000000000 Z valence
0.00000000000 Total energy
55.0000000 220.00000 Suggested cutoff for wfc and rho
0 Max angular momentum component
281 Number of points in mesh
2 1 Number of Wavefunctions, Number of Projectors
Wavefunctions nl l occ
2S 0 2.00
2P 1 3.00
</PP_HEADER>
<PP_MESH>
<PP_R>
4.79232325575E-05 5.03803092326E-05 5.29633629227E-05 5.56788526075E-05
5.85335684257E-05 6.15346486537E-05 6.46895975553E-05 6.80063041460E-05
7.14930619201E-05 7.51585895880E-05 7.90120528783E-05 8.30630874563E-05
8.73218230185E-05 9.17989086222E-05 9.65055393134E-05 1.01453484120E-04
1.06655115482E-04 1.12123440187E-04 1.17872131895E-04 1.23915565330E-04
1.30268852222E-04 1.36947879099E-04 1.43969347007E-04 1.51350813273E-04
1.59110735406E-04 1.67268517256E-04 1.75844557525E-04 1.84860300781E-04
1.94338291078E-04 2.04302228330E-04 2.14777027568E-04 2.25788881248E-04
2.37365324739E-04 2.49535305180E-04 2.62329253861E-04 2.75779162318E-04
2.89918662328E-04 3.04783110005E-04 3.20409674212E-04 3.36837429499E-04
3.54107453809E-04 3.72262931201E-04 3.91349259824E-04 4.11414165441E-04
4.32507820768E-04 4.54682970930E-04 4.77995065353E-04 5.02502396416E-04
5.28266245212E-04 5.55351034782E-04 5.83824491209E-04 6.13757812965E-04
6.45225848945E-04 6.78307285630E-04 7.13084843844E-04 7.49645485597E-04
7.88080631537E-04 8.28486389549E-04 8.70963795074E-04 9.15619063751E-04
9.62563857012E-04 1.01191556129E-03 1.06379758156E-03 1.11833964989E-03
1.17567814986E-03 1.23595645759E-03 1.29932530024E-03 1.36594313293E-03
1.43597653495E-03 1.50960062626E-03 1.58699950546E-03 1.66836671006E-03
1.75390570044E-03 1.84383036864E-03 1.93836557317E-03 2.03774770129E-03
2.14222526007E-03 2.25205949784E-03 2.36752505739E-03 2.48891066278E-03
2.61651984125E-03 2.75067168220E-03 2.89170163511E-03 3.03996234834E-03
3.19582455088E-03 3.35967797943E-03 3.53193235291E-03 3.71301839697E-03
3.90338892104E-03 4.10351995061E-03 4.31391191747E-03 4.53509091115E-03
4.76760999433E-03 5.01205058584E-03 5.26902391446E-03 5.53917254739E-03
5.82317199691E-03 6.12173240958E-03 6.43560034194E-03 6.76556062731E-03
7.11243833827E-03 7.47710084978E-03 7.86046000806E-03 8.26347441069E-03
8.68715180360E-03 9.13255160096E-03 9.60078753425E-03 1.00930304372E-02
1.06105111735E-02 1.11545237145E-02 1.17264283748E-02 1.23276552142E-02
1.29597076128E-02 1.36241660308E-02 1.43226919604E-02 1.50570320803E-02
1.58290226232E-02 1.66405939676E-02 1.74937754647E-02 1.83907005125E-02
1.93336118909E-02 2.03248673695E-02 2.13669456032E-02 2.24624523305E-02
2.36141268888E-02 2.48248490643E-02 2.60976462932E-02 2.74357012315E-02
2.88423597135E-02 3.03211391181E-02 3.18757371641E-02 3.35100411563E-02
3.52281377059E-02 3.70343229494E-02 3.89331132906E-02 4.09292566943E-02
4.30277445589E-02 4.52338241970E-02 4.75530119569E-02 4.99911070159E-02
5.25542058816E-02 5.52487176364E-02 5.80813799629E-02 6.10592759927E-02
6.41898520167E-02 6.74809361059E-02 7.09407576845E-02 7.45779681087E-02
7.84016622991E-02 8.24214014829E-02 8.66472371018E-02 9.10897359460E-02
9.57600065765E-02 1.00669727103E-01 1.05831174383E-01 1.11257254724E-01
1.16961536154E-01 1.22958282346E-01 1.29262488291E-01 1.35889917786E-01
1.42857142857E-01 1.50181585197E-01 1.57881559725E-01 1.65976320390E-01
1.74486108309E-01 1.83432202384E-01 1.92836972511E-01 2.02723935513E-01
2.13117813949E-01 2.24044597927E-01 2.35531610100E-01 2.47607573981E-01
2.60302685770E-01 2.73648689859E-01 2.87678958210E-01 3.02428573802E-01
3.17934418356E-01 3.34235264561E-01 3.51371873022E-01 3.69387094188E-01
3.88325975494E-01 4.08235874009E-01 4.29166574849E-01 4.51170415670E-01
4.74302417534E-01 4.98620422495E-01 5.24185238231E-01 5.51060790100E-01
5.79314280978E-01 6.09016359310E-01 6.40241295763E-01 6.73067168942E-01
7.07576060628E-01 7.43854261026E-01 7.81992484532E-01 8.22086096572E-01
8.64235352059E-01 9.08545646086E-01 9.55127777468E-01 1.00409822580E+00
1.05557944270E+00 1.10970015804E+00 1.16659570180E+00 1.22640834245E+00
1.28928764278E+00 1.35539083377E+00 1.42488320783E+00 1.49793853210E+00
1.57473948295E+00 1.65547810275E+00 1.74035628010E+00 1.82958625467E+00
1.92339114786E+00 2.02200552077E+00 2.12567596070E+00 2.23466169774E+00
2.34923525301E+00 2.46968312008E+00 2.59630648135E+00 2.72942196118E+00
2.86936241760E+00 3.01647777465E+00 3.17113589735E+00 3.33372351156E+00
3.50464717102E+00 3.68433427388E+00 3.87323413152E+00 4.07181909197E+00
4.28058572106E+00 4.50005604411E+00 4.73077885124E+00 4.97333106966E+00
5.22831920624E+00 5.49638086415E+00 5.77818633715E+00 6.07444028572E+00
6.38588349904E+00 6.71329474737E+00 7.05749272936E+00 7.41933811926E+00
7.79973571902E+00 8.19963672078E+00 8.62004108534E+00 9.06200004259E+00
9.52661872013E+00 1.00150589067E+01 1.05285419571E+01 1.10683518465E+01
1.16358383807E+01 1.22324205717E+01 1.28595901858E+01 1.35189154736E+01
1.42120450917E+01 1.49407122253E+01 1.57067389217E+01 1.65120406467E+01
1.73586310741E+01 1.82486271209E+01 1.91842542407E+01 2.01678519888E+01
2.12018798718E+01 2.22889234981E+01 2.34317010428E+01 2.46330700453E+01
2.58960345536E+01 2.72237526369E+01 2.86195442821E+01 3.00868996952E+01
3.16294880292E+01 3.32511665582E+01 3.49559903235E+01 3.67482222723E+01
3.86323439180E+01 4.06130665463E+01 4.26953429953E+01 4.48843800408E+01
4.71856514157E+01 4.96049114970E+01 5.21482096950E+01 5.48219055802E+01
5.76326847847E+01
</PP_R>
<PP_RAB>
2.39616162788E-06 2.51901546163E-06 2.64816814614E-06 2.78394263038E-06
2.92667842128E-06 3.07673243268E-06 3.23447987776E-06 3.40031520730E-06
3.57465309600E-06 3.75792947940E-06 3.95060264391E-06 4.15315437281E-06
4.36609115093E-06 4.58994543111E-06 4.82527696567E-06 5.07267420602E-06
5.33275577412E-06 5.60617200936E-06 5.89360659476E-06 6.19577826648E-06
6.51344261110E-06 6.84739395496E-06 7.19846735035E-06 7.56754066363E-06
7.95553677032E-06 8.36342586279E-06 8.79222787624E-06 9.24301503904E-06
9.71691455391E-06 1.02151114165E-05 1.07388513784E-05 1.12894440624E-05
1.18682662370E-05 1.24767652590E-05 1.31164626931E-05 1.37889581159E-05
1.44959331164E-05 1.52391555003E-05 1.60204837106E-05 1.68418714749E-05
1.77053726905E-05 1.86131465601E-05 1.95674629912E-05 2.05707082721E-05
2.16253910384E-05 2.27341485465E-05 2.38997532677E-05 2.51251198208E-05
2.64133122606E-05 2.77675517391E-05 2.91912245605E-05 3.06878906482E-05
3.22612924472E-05 3.39153642815E-05 3.56542421922E-05 3.74822742799E-05
3.94040315769E-05 4.14243194774E-05 4.35481897537E-05 4.57809531875E-05
4.81281928506E-05 5.05957780647E-05 5.31898790780E-05 5.59169824945E-05
5.87839074930E-05 6.17978228794E-05 6.49662650121E-05 6.82971566467E-05
7.17988267474E-05 7.54800313132E-05 7.93499752732E-05 8.34183355028E-05
8.76952850219E-05 9.21915184320E-05 9.69182786586E-05 1.01887385064E-04
1.07111263003E-04 1.12602974892E-04 1.18376252870E-04 1.24445533139E-04
1.30825992062E-04 1.37533584110E-04 1.44585081756E-04 1.51998117417E-04
1.59791227544E-04 1.67983898971E-04 1.76596617645E-04 1.85650919848E-04
1.95169446052E-04 2.05175997530E-04 2.15695595874E-04 2.26754545558E-04
2.38380499717E-04 2.50602529292E-04 2.63451195723E-04 2.76958627369E-04
2.91158599845E-04 3.06086620479E-04 3.21780017097E-04 3.38278031365E-04
3.55621916913E-04 3.73855042489E-04 3.93023000403E-04 4.13173720535E-04
4.34357590180E-04 4.56627580048E-04 4.80039376712E-04 5.04651521860E-04
5.30525558674E-04 5.57726185723E-04 5.86321418742E-04 6.16382760710E-04
6.47985380639E-04 6.81208301540E-04 7.16134598020E-04 7.52851604013E-04
7.91451131160E-04 8.32029698382E-04 8.74688773236E-04 9.19535025627E-04
9.66680594547E-04 1.01624336848E-03 1.06834728016E-03 1.12312261653E-03
1.18070634444E-03 1.24124245322E-03 1.30488231466E-03 1.37178506158E-03
1.44211798568E-03 1.51605695591E-03 1.59378685820E-03 1.67550205781E-03
1.76140688530E-03 1.85171614747E-03 1.94665566453E-03 2.04646283472E-03
2.15138722794E-03 2.26169120985E-03 2.37765059784E-03 2.49955535079E-03
2.62771029408E-03 2.76243588182E-03 2.90406899815E-03 3.05296379963E-03
3.20949260084E-03 3.37404680529E-03 3.54703788422E-03 3.72889840544E-03
3.92008311496E-03 4.12107007415E-03 4.33236185509E-03 4.55448679730E-03
4.78800032883E-03 5.03348635513E-03 5.29155871916E-03 5.56286273622E-03
5.84807680770E-03 6.14791411732E-03 6.46312441454E-03 6.79449588929E-03
7.14285714286E-03 7.50907925983E-03 7.89407798625E-03 8.29881601949E-03
8.72430541543E-03 9.17161011920E-03 9.64184862554E-03 1.01361967757E-02
1.06558906974E-02 1.12022298964E-02 1.17765805050E-02 1.23803786991E-02
1.30151342885E-02 1.36824344930E-02 1.43839479105E-02 1.51214286901E-02
1.58967209178E-02 1.67117632280E-02 1.75685936511E-02 1.84693547094E-02
1.94162987747E-02 2.04117937005E-02 2.14583287425E-02 2.25585207835E-02
2.37151208767E-02 2.49310211247E-02 2.62092619116E-02 2.75530395050E-02
2.89657140489E-02 3.04508179655E-02 3.20120647881E-02 3.36533584471E-02
3.53788030314E-02 3.71927130513E-02 3.90996242266E-02 4.11043048286E-02
4.32117676029E-02 4.54272823043E-02 4.77563888734E-02 5.02049112899E-02
5.27789721352E-02 5.54850079022E-02 5.83297850898E-02 6.13204171227E-02
6.44643821388E-02 6.77695416883E-02 7.12441603915E-02 7.48969266052E-02
7.87369741474E-02 8.27739051373E-02 8.70178140050E-02 9.14793127333E-02
9.61695573929E-02 1.01100276038E-01 1.06283798035E-01 1.11733084887E-01
1.17461762651E-01 1.23484156004E-01 1.29815324067E-01 1.36471098059E-01
1.43468120880E-01 1.50823888732E-01 1.58556794867E-01 1.66686175578E-01
1.75232358551E-01 1.84216713694E-01 1.93661706576E-01 2.03590954598E-01
2.14029286053E-01 2.25002802205E-01 2.36538942562E-01 2.48666553483E-01
2.61415960312E-01 2.74819043207E-01 2.88909316858E-01 3.03722014286E-01
3.19294174952E-01 3.35664737368E-01 3.52874636468E-01 3.70966905963E-01
3.89986785951E-01 4.09981836039E-01 4.31002054267E-01 4.53100002129E-01
4.76330936007E-01 5.00752945333E-01 5.26427097854E-01 5.53417592323E-01
5.81791919035E-01 6.11621028587E-01 6.42979509289E-01 6.75945773678E-01
7.10602254585E-01 7.47035611265E-01 7.85336946087E-01 8.25602032337E-01
8.67931553705E-01 9.12431356043E-01 9.59212712035E-01 1.00839259944E+00
1.06009399359E+00 1.11444617490E+00 1.17158505214E+00 1.23165350226E+00
1.29480172768E+00 1.36118763185E+00 1.43097721411E+00 1.50434498476E+00
1.58147440146E+00 1.66255832791E+00 1.74779951617E+00 1.83741111361E+00
1.93161719590E+00 2.03065332731E+00 2.13476714976E+00 2.24421900204E+00
2.35928257078E+00 2.48024557485E+00 2.60741048475E+00 2.74109527901E+00
2.88163423923E+00
</PP_RAB>
</PP_MESH>
<PP_LOCAL>
-3.41777710000E+01 -3.41777690000E+01 -3.41777670000E+01 -3.41777640000E+01
-3.41777610000E+01 -3.41777580000E+01 -3.41777540000E+01 -3.41777500000E+01
-3.41777460000E+01 -3.41777410000E+01 -3.41777360000E+01 -3.41777300000E+01
-3.41777240000E+01 -3.41777160000E+01 -3.41777080000E+01 -3.41777000000E+01
-3.41776900000E+01 -3.41776790000E+01 -3.41776670000E+01 -3.41776540000E+01
-3.41776400000E+01 -3.41776240000E+01 -3.41776060000E+01 -3.41775860000E+01
-3.41775650000E+01 -3.41775410000E+01 -3.41775140000E+01 -3.41774850000E+01
-3.41774530000E+01 -3.41774170000E+01 -3.41773780000E+01 -3.41773350000E+01
-3.41772870000E+01 -3.41772330000E+01 -3.41771750000E+01 -3.41771100000E+01
-3.41770380000E+01 -3.41769590000E+01 -3.41768710000E+01 -3.41767750000E+01
-3.41766680000E+01 -3.41765500000E+01 -3.41764190000E+01 -3.41762750000E+01
-3.41761160000E+01 -3.41759400000E+01 -3.41757450000E+01 -3.41755300000E+01
-3.41752930000E+01 -3.41750310000E+01 -3.41747410000E+01 -3.41744210000E+01
-3.41740670000E+01 -3.41736770000E+01 -3.41732450000E+01 -3.41727690000E+01
-3.41722420000E+01 -3.41716610000E+01 -3.41710200000E+01 -3.41703110000E+01
-3.41695290000E+01 -3.41686660000E+01 -3.41677130000E+01 -3.41666610000E+01
-3.41655000000E+01 -3.41642200000E+01 -3.41628080000E+01 -3.41612500000E+01
-3.41595320000E+01 -3.41576390000E+01 -3.41555520000E+01 -3.41532530000E+01
-3.41507210000E+01 -3.41479320000E+01 -3.41448630000E+01 -3.41414850000E+01
-3.41377710000E+01 -3.41336880000E+01 -3.41292010000E+01 -3.41242740000E+01
-3.41188670000E+01 -3.41129350000E+01 -3.41064340000E+01 -3.40993130000E+01
-3.40915190000E+01 -3.40829960000E+01 -3.40736830000E+01 -3.40635180000E+01
-3.40524320000E+01 -3.40403550000E+01 -3.40272120000E+01 -3.40129260000E+01
-3.39974150000E+01 -3.39805940000E+01 -3.39623770000E+01 -3.39426720000E+01
-3.39213870000E+01 -3.38984250000E+01 -3.38736880000E+01 -3.38470770000E+01
-3.38184900000E+01 -3.37878250000E+01 -3.37549760000E+01 -3.37198400000E+01
-3.36823120000E+01 -3.36422900000E+01 -3.35996690000E+01 -3.35543490000E+01
-3.35062330000E+01 -3.34552260000E+01 -3.34012400000E+01 -3.33441910000E+01
-3.32840030000E+01 -3.32206100000E+01 -3.31539560000E+01 -3.30839970000E+01
-3.30107020000E+01 -3.29340580000E+01 -3.28540690000E+01 -3.27707560000E+01
-3.26841640000E+01 -3.25943620000E+01 -3.25014400000E+01 -3.24055170000E+01
-3.23067390000E+01 -3.22052780000E+01 -3.21013350000E+01 -3.19951420000E+01
-3.18869540000E+01 -3.17770570000E+01 -3.16657590000E+01 -3.15533940000E+01
-3.14403120000E+01 -3.13268810000E+01 -3.12134830000E+01 -3.11005050000E+01
-3.09883370000E+01 -3.08773670000E+01 -3.07679740000E+01 -3.06605220000E+01
-3.05553550000E+01 -3.04527900000E+01 -3.03531130000E+01 -3.02565730000E+01
-3.01633750000E+01 -3.00736810000E+01 -2.99876010000E+01 -2.99051910000E+01
-2.98264550000E+01 -2.97513340000E+01 -2.96797130000E+01 -2.96114180000E+01
-2.95462090000E+01 -2.94837900000E+01 -2.94238010000E+01 -2.93658190000E+01
-2.93093640000E+01 -2.92538890000E+01 -2.91987900000E+01 -2.91433970000E+01
-2.90869730000E+01 -2.90287170000E+01 -2.89677500000E+01 -2.89031160000E+01
-2.88337710000E+01 -2.87585710000E+01 -2.86762580000E+01 -2.85854420000E+01
-2.84845850000E+01 -2.83719720000E+01 -2.82456840000E+01 -2.81035730000E+01
-2.79432280000E+01 -2.77619390000E+01 -2.75566710000E+01 -2.73240330000E+01
-2.70602630000E+01 -2.67612150000E+01 -2.64223780000E+01 -2.60389180000E+01
-2.56057560000E+01 -2.51177080000E+01 -2.45697030000E+01 -2.39571280000E+01
-2.32764630000E+01 -2.25261010000E+01 -2.17058830000E+01 -2.08146000000E+01
-1.98504370000E+01 -1.88158000000E+01 -1.77201620000E+01 -1.65800550000E+01
-1.54187060000E+01 -1.42655300000E+01 -1.31550010000E+01 -1.21245000000E+01
-1.12107840000E+01 -1.04447610000E+01 -9.84427310000E+00 -9.40508610000E+00
-9.09165490000E+00 -8.83304910000E+00 -8.53747940000E+00 -8.15375240000E+00
-7.75615010000E+00 -7.37791300000E+00 -7.01810490000E+00 -6.67583550000E+00
-6.35025440000E+00 -6.04054990000E+00 -5.74594920000E+00 -5.46571590000E+00
-5.19914970000E+00 -4.94558410000E+00 -4.70438510000E+00 -4.47494950000E+00
-4.25670360000E+00 -4.04910170000E+00 -3.85162470000E+00 -3.66377870000E+00
-3.48509410000E+00 -3.31512410000E+00 -3.15344360000E+00 -2.99964830000E+00
-2.85335370000E+00 -2.71419400000E+00 -2.58182120000E+00 -2.45590430000E+00
-2.33612850000E+00 -2.22219410000E+00 -2.11381640000E+00 -2.01072440000E+00
-1.91266020000E+00 -1.81937860000E+00 -1.73064650000E+00 -1.64624190000E+00
-1.56595370000E+00 -1.48958120000E+00 -1.41693350000E+00 -1.34782890000E+00
-1.28209450000E+00 -1.21956600000E+00 -1.16008710000E+00 -1.10350890000E+00
-1.04969020000E+00 -9.98496180000E-01 -9.49798950000E-01 -9.03476710000E-01
-8.59413630000E-01 -8.17499540000E-01 -7.77629620000E-01 -7.39704170000E-01
-7.03628380000E-01 -6.69312020000E-01 -6.36669290000E-01 -6.05618560000E-01
-5.76082190000E-01 -5.47986330000E-01 -5.21260720000E-01 -4.95838540000E-01
-4.71656210000E-01 -4.48653260000E-01 -4.26772190000E-01 -4.05958260000E-01
-3.86159440000E-01 -3.67326220000E-01 -3.49411510000E-01 -3.32370510000E-01
-3.16160610000E-01 -3.00741280000E-01 -2.86073950000E-01 -2.72121960000E-01
-2.58850420000E-01 -2.46226130000E-01 -2.34217540000E-01 -2.22794620000E-01
-2.11928800000E-01 -2.01592910000E-01 -1.91761100000E-01 -1.82408810000E-01
-1.73512620000E-01
</PP_LOCAL>
<PP_NONLOCAL>
<PP_BETA>
1 0 Beta L
246
9.68979518531E-04 1.01866016137E-03 1.07088799348E-03 1.12579353738E-03
1.18351421403E-03 1.24419436653E-03 1.30798551041E-03 1.37504737882E-03
1.44554756885E-03 1.51966240740E-03 1.59757724348E-03 1.67948670739E-03
1.76559595045E-03 1.85611992018E-03 1.95128522720E-03 2.05132988494E-03
2.15650368757E-03 2.26707000586E-03 2.38330520124E-03 2.50549993645E-03
2.63395983898E-03 2.76900585858E-03 2.91097570460E-03 3.06022454570E-03
3.21712580907E-03 3.38207128516E-03 3.55547396519E-03 3.73776698115E-03
3.92940636185E-03 4.13087145698E-03 4.34266578510E-03 4.56531936911E-03
4.79938830988E-03 5.04545792789E-03 5.30414439583E-03 5.57609357262E-03
5.86198611789E-03 6.16253645982E-03 6.47849659014E-03 6.81065677125E-03
7.15984626202E-03 7.52693985345E-03 7.91285415304E-03 8.31855486149E-03
8.74505691767E-03 9.19342570510E-03 9.66478246968E-03 1.01603066513E-02
1.06812367900E-02 1.12288762036E-02 1.18045926615E-02 1.24098280832E-02
1.30460932828E-02 1.37149817819E-02 1.44181635842E-02 1.51573997382E-02
1.59345359482E-02 1.67515176230E-02 1.76103877854E-02 1.85132915828E-02
1.94624891783E-02 2.04603541340E-02 2.15093794773E-02 2.26121901404E-02
2.37715421836E-02 2.49903369794E-02 2.62716223193E-02 2.76185979239E-02
2.90346363151E-02 3.05232767842E-02 3.20882421887E-02 3.37334440727E-02
3.54630013008E-02 3.72812316943E-02 3.91926875678E-02 4.12021445989E-02
4.33146307989E-02 4.55354275539E-02 4.78700894689E-02 5.03244531192E-02
5.29046586265E-02 5.56171520227E-02 5.84687229241E-02 6.14665015576E-02
6.46179779420E-02 6.79310421899E-02 7.14139712952E-02 7.50754855727E-02
7.89247256926E-02 8.29713377071E-02 8.72254233474E-02 9.16976393521E-02
9.63991567913E-02 1.01341735074E-01 1.06537743571E-01 1.12000173815E-01
1.17742687590E-01 1.23779650546E-01 1.30126161880E-01 1.36798098857E-01
1.43812139710E-01 1.51185856916E-01 1.58937672685E-01 1.67086988276E-01
1.75654188436E-01 1.84660721181E-01 1.94129119300E-01 2.04083065040E-01
2.14547483838E-01 2.25548557941E-01 2.37113858496E-01 2.49272281487E-01
2.62054302985E-01 2.75491936075E-01 2.89618791432E-01 3.04470322073E-01
3.20083664755E-01 3.36497996074E-01 3.53754433820E-01 3.71896240733E-01
3.90968884041E-01 4.11020251069E-01 4.32100588533E-01 4.54262848887E-01
4.77562700235E-01 5.02058605266E-01 5.27812114688E-01 5.54888052697E-01
5.83354443439E-01 6.13282970504E-01 6.44748994264E-01 6.77831840605E-01
7.12614867844E-01 7.49185876443E-01 7.87637259362E-01 8.28066208673E-01
8.70574956808E-01 9.15271171776E-01 9.62268183663E-01 1.01168521187E+00
1.06364776706E+00 1.11828793791E+00 1.17574478093E+00 1.23616466447E+00
1.29970146849E+00 1.36651734236E+00 1.43678271247E+00 1.51067669214E+00
1.58838791947E+00 1.67011411806E+00 1.75606307240E+00 1.84645283905E+00
1.94151132455E+00 2.04147727927E+00 2.14659963939E+00 2.25713696825E+00
2.37335809703E+00 2.49553957613E+00 2.62396623517E+00 2.75892704186E+00
2.90071412989E+00 3.04961748383E+00 3.20592067984E+00 3.36989315675E+00
3.54178162355E+00 3.72179807527E+00 3.91010322640E+00 4.10678784375E+00
4.31184714038E+00 4.52514793674E+00 4.74638867006E+00 4.97504911086E+00
5.21032882051E+00 5.45106881575E+00 5.69566124936E+00 5.94193602433E+00
6.18703380558E+00 6.42725031416E+00 6.65787080594E+00 6.87298363362E+00
7.06529178605E+00 7.22593488684E+00 7.34435358333E+00 7.40822763190E+00
7.40356434246E+00 7.31500040325E+00 7.12644446467E+00 6.82217482677E+00
6.38853359153E+00 5.81633086553E+00 5.10399162582E+00 4.26130697797E+00
3.31334519355E+00 2.30367412587E+00 1.29549428481E+00 3.68847083713E-01
-3.88055715114E-01 -8.94630328319E-01 -1.10025677930E+00 -1.00922580453E+00
-6.99837032029E-01 -3.23416005126E-01 -6.08613206600E-02 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00
</PP_BETA>
<PP_DIJ>
1 Number of nonzero Dij
1 1 6.92525341798E-01
</PP_DIJ>
</PP_NONLOCAL>
<PP_PSWFC>
2S 0 2.00 Wavefunction
4.57048930000E-05 4.80482330000E-05 5.05117190000E-05 5.31015100000E-05
5.58240830000E-05 5.86862460000E-05 6.16951540000E-05 6.48583330000E-05
6.81836910000E-05 7.16795450000E-05 7.53546340000E-05 7.92181490000E-05
8.32797520000E-05 8.75495970000E-05 9.20383610000E-05 9.67572700000E-05
1.01718120000E-04 1.06933320000E-04 1.12415910000E-04 1.18179600000E-04
1.24238800000E-04 1.30608660000E-04 1.37305110000E-04 1.44344890000E-04
1.51745620000E-04 1.59525780000E-04 1.67704850000E-04 1.76303260000E-04
1.85342520000E-04 1.94845240000E-04 2.04835170000E-04 2.15337300000E-04
2.26377880000E-04 2.37984520000E-04 2.50186250000E-04 2.63013580000E-04
2.76498580000E-04 2.90674960000E-04 3.05578190000E-04 3.21245530000E-04
3.37716140000E-04 3.55031220000E-04 3.73234070000E-04 3.92370190000E-04
4.12487450000E-04 4.33636140000E-04 4.55869150000E-04 4.79242070000E-04
5.03813340000E-04 5.29644410000E-04 5.56799870000E-04 5.85347630000E-04
6.15359060000E-04 6.46909210000E-04 6.80076970000E-04 7.14945280000E-04
7.51601330000E-04 7.90136780000E-04 8.30647990000E-04 8.73236260000E-04
9.18008080000E-04 9.65075400000E-04 1.01455590000E-03 1.06657340000E-03
1.12125780000E-03 1.17874600000E-03 1.23918170000E-03 1.30271600000E-03
1.36950780000E-03 1.43972410000E-03 1.51354050000E-03 1.59114150000E-03
1.67272130000E-03 1.75848380000E-03 1.84864340000E-03 1.94342570000E-03
2.04306760000E-03 2.14781830000E-03 2.25793980000E-03 2.37370740000E-03
2.49541060000E-03 2.62335380000E-03 2.75785690000E-03 2.89925620000E-03
3.04790540000E-03 3.20417610000E-03 3.36845930000E-03 3.54116570000E-03
3.72272710000E-03 3.91359780000E-03 4.11425500000E-03 4.32520060000E-03
4.54696210000E-03 4.78009420000E-03 5.02517990000E-03 5.28283220000E-03
5.55369550000E-03 5.83844740000E-03 6.13780010000E-03 6.45250250000E-03
6.78334160000E-03 7.13114530000E-03 7.49678350000E-03 7.88117100000E-03
8.28526970000E-03 8.71009050000E-03 9.15669660000E-03 9.62620550000E-03
1.01197920000E-02 1.06386920000E-02 1.11842050000E-02 1.17576950000E-02
1.23605990000E-02 1.29944270000E-02 1.36607650000E-02 1.43612840000E-02
1.50977370000E-02 1.58719720000E-02 1.66859270000E-02 1.75416450000E-02
1.84412700000E-02 1.93870600000E-02 2.03813870000E-02 2.14267490000E-02
2.25257700000E-02 2.36812110000E-02 2.48959770000E-02 2.61731240000E-02
2.75158650000E-02 2.89275810000E-02 3.04118320000E-02 3.19723600000E-02
3.36131050000E-02 3.53382130000E-02 3.71520490000E-02 3.90592080000E-02
4.10645260000E-02 4.31730970000E-02 4.53902870000E-02 4.77217470000E-02
5.01734310000E-02 5.27516150000E-02 5.54629140000E-02 5.83143040000E-02
6.13131410000E-02 6.44671890000E-02 6.77846420000E-02 7.12741500000E-02
7.49448550000E-02 7.88064170000E-02 8.28690500000E-02 8.71435640000E-02
9.16414020000E-02 9.63746880000E-02 1.01356280000E-01 1.06599810000E-01
1.12119770000E-01 1.17931550000E-01 1.24051550000E-01 1.30497200000E-01
1.37287140000E-01 1.44441210000E-01 1.51980670000E-01 1.59928240000E-01
1.68308280000E-01 1.77146950000E-01 1.86472320000E-01 1.96314630000E-01
2.06706430000E-01 2.17682810000E-01 2.29281650000E-01 2.41543810000E-01
2.54513430000E-01 2.68238100000E-01 2.82769120000E-01 2.98161560000E-01
3.14474430000E-01 3.31770450000E-01 3.50115840000E-01 3.69579550000E-01
3.90232190000E-01 4.12144090000E-01 4.35382580000E-01 4.60007860000E-01
4.86067270000E-01 5.13587290000E-01 5.42562960000E-01 5.72944100000E-01
6.04617950000E-01 6.37388450000E-01 6.70952800000E-01 7.04877210000E-01
7.38575550000E-01 7.71296650000E-01 8.02128380000E-01 8.30028160000E-01
8.53888740000E-01 8.72643210000E-01 8.85401740000E-01 8.91595080000E-01
8.91079430000E-01 8.84143330000E-01 8.71369430000E-01 8.53373850000E-01
8.30603010000E-01 8.03411690000E-01 7.72241370000E-01 7.37585640000E-01
6.99971440000E-01 6.59955500000E-01 6.18111040000E-01 5.75015900000E-01
5.31240820000E-01 4.87338190000E-01 4.43831580000E-01 4.01206270000E-01
3.59901080000E-01 3.20301570000E-01 2.82734980000E-01 2.47466840000E-01
2.14699440000E-01 1.84572120000E-01 1.57163340000E-01 1.32494340000E-01
1.10534130000E-01 9.12056070000E-02 7.43922760000E-02 5.99453640000E-02
4.76908640000E-02 3.74363220000E-02 2.89772590000E-02 2.21033360000E-02
1.66044030000E-02 1.22764150000E-02 8.92689670000E-03 6.37942890000E-03
4.47672010000E-03 3.08215400000E-03 2.07999150000E-03 1.37453660000E-03
8.88568320000E-04 5.61298330000E-04 3.46073740000E-04 2.08013870000E-04
1.21734290000E-04 6.92704790000E-05 3.82720980000E-05 2.05004820000E-05
1.06289230000E-05 5.32443390000E-06 2.57236410000E-06 1.19649850000E-06
5.34783860000E-07 2.29206780000E-07 9.39525270000E-08 3.67159300000E-08
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00
2P 1 3.00 Wavefunction
9.06036580000E-09 1.00132530000E-08 1.10663560000E-08 1.22302150000E-08
1.35164810000E-08 1.49380250000E-08 1.65090750000E-08 1.82453540000E-08
2.01642390000E-08 2.22849360000E-08 2.46286690000E-08 2.72188960000E-08
3.00815390000E-08 3.32452500000E-08 3.67416930000E-08 4.06058600000E-08
4.48764260000E-08 4.95961330000E-08 5.48122170000E-08 6.05768820000E-08
6.69478250000E-08 7.39888060000E-08 8.17702960000E-08 9.03701750000E-08
9.98745130000E-08 1.10378430000E-07 1.21987060000E-07 1.34816590000E-07
1.48995400000E-07 1.64665430000E-07 1.81983480000E-07 2.01122900000E-07
2.22275230000E-07 2.45652180000E-07 2.71487700000E-07 3.00040380000E-07
3.31595980000E-07 3.66470310000E-07 4.05012420000E-07 4.47608050000E-07
4.94683500000E-07 5.46709940000E-07 6.04208050000E-07 6.67753310000E-07
7.37981690000E-07 8.15596060000E-07 9.01373230000E-07 9.96171670000E-07
1.10094020000E-06 1.21672730000E-06 1.34469180000E-06 1.48611460000E-06
1.64241090000E-06 1.81514500000E-06 2.00604580000E-06 2.21702370000E-06
2.45019050000E-06 2.70787950000E-06 2.99267000000E-06 3.30741210000E-06
3.65525590000E-06 4.03968280000E-06 4.46454000000E-06 4.93407980000E-06
5.45300140000E-06 6.02649830000E-06 6.66031010000E-06 7.36078020000E-06
8.13491900000E-06 8.99047430000E-06 9.93600840000E-06 1.09809840000E-05
1.21358600000E-05 1.34121950000E-05 1.48227610000E-05 1.63816750000E-05
1.81045400000E-05 2.00085960000E-05 2.21129010000E-05 2.44385120000E-05
2.70087050000E-05 2.98491990000E-05 3.29884230000E-05 3.64577910000E-05
4.02920230000E-05 4.45294880000E-05 4.92125910000E-05 5.43881960000E-05
6.01080950000E-05 6.64295240000E-05 7.34157380000E-05 8.11366440000E-05
8.96694970000E-05 9.90996750000E-05 1.09521530000E-04 1.21039340000E-04
1.33768340000E-04 1.47835870000E-04 1.63382670000E-04 1.80564260000E-04
1.99552520000E-04 2.20537370000E-04 2.43728710000E-04 2.69358480000E-04
2.97683000000E-04 3.28985510000E-04 3.63578990000E-04 4.01809320000E-04
4.44058660000E-04 4.90749340000E-04 5.42347980000E-04 5.99370200000E-04
6.62385730000E-04 7.32024020000E-04 8.08980600000E-04 8.94023870000E-04
9.88002790000E-04 1.09185530000E-03 1.20661740000E-03 1.33343390000E-03
1.47356890000E-03 1.62841920000E-03 1.79952720000E-03 1.98859660000E-03
2.19750880000E-03 2.42834150000E-03 2.68338870000E-03 2.96518330000E-03
3.27652160000E-03 3.62049000000E-03 4.00049530000E-03 4.42029670000E-03
4.88404220000E-03 5.39630770000E-03 5.96214020000E-03 6.58710520000E-03
7.27733870000E-03 8.03960310000E-03 8.88135020000E-03 9.81078780000E-03
1.08369540000E-02 1.19697950000E-02 1.32202560000E-02 1.46003710000E-02
1.61233670000E-02 1.78037690000E-02 1.96575240000E-02 2.17021200000E-02
2.39567210000E-02 2.64423080000E-02 2.91818280000E-02 3.22003460000E-02
3.55252040000E-02 3.91861850000E-02 4.32156750000E-02 4.76488220000E-02
5.25236880000E-02 5.78813930000E-02 6.37662280000E-02 7.02257540000E-02
7.73108470000E-02 8.50756960000E-02 9.35777340000E-02 1.02877470000E-01
1.13038220000E-01 1.24125670000E-01 1.36207290000E-01 1.49351550000E-01
1.63626790000E-01 1.79099920000E-01 1.95834660000E-01 2.13889400000E-01
2.33314650000E-01 2.54149910000E-01 2.76420050000E-01 3.00131180000E-01
3.25265880000E-01 3.51778140000E-01 3.79587870000E-01 4.08575380000E-01
4.38576140000E-01 4.69376310000E-01 5.00709560000E-01 5.32256080000E-01
5.63644570000E-01 5.94458140000E-01 6.24244970000E-01 6.52534340000E-01
6.78858200000E-01 7.02777700000E-01 7.23913100000E-01 7.41974410000E-01
7.56788880000E-01 7.68320270000E-01 7.76674570000E-01 7.82086820000E-01
7.84885320000E-01 7.85432310000E-01 7.84045640000E-01 7.80914070000E-01
7.76031090000E-01 7.69185550000E-01 7.60050540000E-01 7.48370650000E-01
7.34118630000E-01 7.17429750000E-01 6.98445090000E-01 6.77327630000E-01
6.54266700000E-01 6.29468020000E-01 6.03151520000E-01 5.75547730000E-01
5.46894320000E-01 5.17432640000E-01 4.87404350000E-01 4.57048130000E-01
4.26596630000E-01 3.96273520000E-01 3.66290870000E-01 3.36846850000E-01
3.08123830000E-01 2.80287030000E-01 2.53483710000E-01 2.27842850000E-01
2.03475500000E-01 1.80475410000E-01 1.58919910000E-01 1.38870490000E-01
1.20372870000E-01 1.03455970000E-01 8.81299010000E-02 7.43833500000E-02
6.21816870000E-02 5.14668980000E-02 4.21600120000E-02 3.41654800000E-02
2.73762260000E-02 2.16783390000E-02 1.69549790000E-02 1.30896110000E-02
9.96875670000E-03 7.48432860000E-03 5.53554620000E-03 4.03038220000E-03
2.88652390000E-03 2.03185720000E-03 1.40450600000E-03 9.52501940000E-04
6.33100120000E-04 4.11931370000E-04 2.62102450000E-04 1.62931270000E-04
9.88415810000E-05 5.84424140000E-05 3.36349390000E-05 1.88150920000E-05
1.02142570000E-05 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00
</PP_PSWFC>
<PP_RHOATOM>
4.17787473455E-09 4.61726568964E-09 5.10286788006E-09 5.63954117729E-09
6.23265703367E-09 6.88815160858E-09 7.61258487182E-09 8.41320771776E-09
9.29803265656E-09 1.02759158327E-08 1.13566435503E-08 1.25510324846E-08
1.38710369011E-08 1.53298671855E-08 1.69421238410E-08 1.87239435422E-08
2.06931579143E-08 2.28694772318E-08 2.52746826554E-08 2.79328467210E-08
3.08705722969E-08 3.41172605570E-08 3.77054065234E-08 4.16709190385E-08
4.60534963031E-08 5.08969855194E-08 5.62498780696E-08 6.21657334998E-08
6.87037660388E-08 7.59294164454E-08 8.39149930918E-08 9.27404268938E-08
1.02494037325E-07 1.13273444554E-07 1.25186540495E-07 1.38352556602E-07
1.52903259352E-07 1.68984267643E-07 1.86756552513E-07 2.06397982149E-07
2.28105116568E-07 2.52095231025E-07 2.78608437220E-07 3.07910069685E-07
3.40293426666E-07 3.76082599419E-07 4.15635801265E-07 4.59348900390E-07
5.07659399332E-07 5.61050843364E-07 6.20057615052E-07 6.85270321503E-07
7.57341637989E-07 8.36992936220E-07 9.25021442908E-07 1.02230825237E-06
1.12982712882E-06 1.24865426005E-06 1.37997903480E-06 1.52511594848E-06
1.68551775258E-06 1.86279001248E-06 2.05870714480E-06 2.27523067061E-06
2.51452731379E-06 2.77899322108E-06 3.07127565042E-06 3.39430049657E-06
3.75130175924E-06 4.14585345413E-06 4.58190586307E-06 5.06382429207E-06
5.59643493224E-06 6.18507021065E-06 6.83562398346E-06 7.55461198067E-06
8.34923375945E-06 9.22744793137E-06 1.01980512220E-05 1.12707653642E-05
1.24563365356E-05 1.37666432440E-05 1.52148140699E-05 1.68153605381E-05
1.85843249961E-05 2.05394375855E-05 2.27003017489E-05 2.50885832573E-05
2.77282330714E-05 3.06457341253E-05 3.38703580218E-05 3.74344699255E-05
4.13738505337E-05 4.57280633585E-05 5.05408509513E-05 5.58605836722E-05
6.17407493198E-05 6.82405024185E-05 7.54252618257E-05 8.33673873810E-05
9.21469101493E-05 1.01852376774E-04 1.12581736744E-04 1.24443374635E-04
1.37557233509E-04 1.52056047434E-04 1.68086754295E-04 1.85812016845E-04
2.05411944527E-04 2.27086039686E-04 2.51055306958E-04 2.77564517336E-04
3.06885079844E-04 3.39317843614E-04 3.75196349604E-04 4.14890792298E-04
4.58811773581E-04 5.07415434326E-04 5.61208096349E-04 6.20752756509E-04
6.86675094335E-04 7.59671438160E-04 8.40516766518E-04 9.30074694731E-04
1.02930776296E-03 1.13929003617E-03 1.26122106631E-03 1.39644177585E-03
1.54645243478E-03 1.71293372854E-03 1.89777093913E-03 2.10308067669E-03
2.33124326012E-03 2.58493900645E-03 2.86719083709E-03 3.18141332392E-03
3.53146956687E-03 3.92173826316E-03 4.35719145201E-03 4.84348494523E-03
5.38706507262E-03 5.99529374724E-03 6.67659516486E-03 7.44062860202E-03
8.29849140882E-03 9.26295948694E-03 1.03487701316E-02 1.15729549539E-02
1.29552360252E-02 1.45184896779E-02 1.62892961521E-02 1.82985883408E-02
2.05824134788E-02 2.31828322588E-02 2.61489746880E-02 2.95382696980E-02
3.34178990531E-02 3.78664679377E-02 4.29759696148E-02 4.88540079903E-02
5.56264188103E-02 6.34401484422E-02 7.24666250090E-02 8.29054053998E-02
9.49882717754E-02 1.08983629647E-01 1.25201129800E-01 1.43996524366E-01
1.65776275624E-01 1.91001955571E-01 2.20193792225E-01 2.53932850596E-01
2.92861349815E-01 3.37679886842E-01 3.89140882577E-01 4.48036807348E-01
5.15182012324E-01 5.91386842332E-01 6.77423055991E-01 7.73979610983E-01
8.81609415956E-01 1.00066786301E+00 1.13124617236E+00 1.27310406661E+00
1.42560838580E+00 1.58768524954E+00 1.75779447884E+00 1.93393307809E+00
2.11367109805E+00 2.29421755924E+00 2.47250584871E+00 2.64528183764E+00
2.80917591279E+00 2.96074515648E+00 3.09649003906E+00 3.21287287484E+00
3.30638685725E+00 3.37372408469E+00 3.41205517920E+00 3.41936392753E+00
3.39471785908E+00 3.33835808695E+00 3.25159983714E+00 3.13666974507E+00
2.99659320918E+00 2.83505702581E+00 2.65619009831E+00 2.46438330775E+00
2.26411477782E+00 2.05977248857E+00 1.85549778377E+00 1.65505213903E+00
1.46171380941E+00 1.27820663368E+00 1.10666194401E+00 9.48611921584E-01
8.05011628952E-01 6.76284299449E-01 5.62385142167E-01 4.62877074864E-01
3.77012582914E-01 3.03816192521E-01 2.42162604586E-01 1.90846593152E-01
1.48642425090E-01 1.14351046340E-01 8.68350348401E-02 6.50419323087E-02
4.80177205142E-02 3.49123695957E-02 2.49800014291E-02 1.75757631963E-02
1.21510989925E-02 8.24794549973E-03 5.49177880491E-03 3.58323429707E-03
2.28845529572E-03 1.42885049196E-03 8.71066667951E-04 5.17792450123E-04
2.99707437750E-04 1.68675635409E-04 9.21663492640E-05 4.88184815745E-05
2.50256991505E-05 1.23949278421E-05 5.92084081908E-06 2.72262037664E-06
1.20267323384E-06 5.09119059963E-07 2.06106317002E-07 7.96426594488E-08
2.93095463913E-08 1.02466523339E-08 3.39394501876E-09 1.06202575702E-09
3.12993138186E-10 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00
</PP_RHOATOM>

9999
pseudo/Ni.pbe-nd-rrkjus.UPF
View File

File diff suppressed because it is too large Load Diff

9999
pseudo/Ni.pz-nd-rrkjus.UPF
View File

File diff suppressed because it is too large Load Diff

557
pseudo/O.blyp-mt.UPF
View File

@ -1,557 +0,0 @@
<PP_INFO>
Generated using ld1 code (trou)
Author: P. Giannozzi Generation date: 2001
Info: Oxygen BLYP 2s2 2p4 l=1 local Martins-Troullier
0 The Pseudo was generated with a Non-Relativistic Calculation
0.00000000000E+00 Local Potential cutoff radius
nl pn l occ Rcut Rcut US E pseu
2S 0 0 2.00 1.31000000000 0.00000000000 0.00000000000
2P 0 1 4.00 1.31000000000 0.00000000000 0.00000000000
</PP_INFO>
<PP_HEADER>
0 Version Number
O Element
NC Norm - Conserving pseudopotential
F Nonlinear Core Correction
SLA LYP B88 BLYP BLYP Exchange-Correlation functional
6.00000000000 Z valence
0.00000000000 Total energy
0.0000000 0.0000000 Suggested cutoff for wfc and rho
0 Max angular momentum component
285 Number of points in mesh
2 1 Number of Wavefunctions, Number of Projectors
Wavefunctions nl l occ
2S 0 2.00
2P 1 4.00
</PP_HEADER>
<PP_MESH>
<PP_R>
4.19328284878E-05 4.40827705785E-05 4.63429425574E-05 4.87189960316E-05
5.12168723725E-05 5.38428175720E-05 5.66033978608E-05 5.95055161278E-05
6.25564291801E-05 6.57637658895E-05 6.91355462685E-05 7.26802015242E-05
7.64065951412E-05 8.03240450444E-05 8.44423468992E-05 8.87717986053E-05
9.33232260471E-05 9.81080101639E-05 1.03138115408E-04 1.08426119663E-04
1.13985245694E-04 1.19829394212E-04 1.25973178631E-04 1.32431961613E-04
1.39221893481E-04 1.46359952599E-04 1.53863987834E-04 1.61752763183E-04
1.70046004693E-04 1.78764449788E-04 1.87929899122E-04 1.97565271092E-04
2.07694659147E-04 2.18343392033E-04 2.29538097129E-04 2.41306767028E-04
2.53678829537E-04 2.66685221255E-04 2.80358464936E-04 2.94732750811E-04
3.09844022083E-04 3.25730064801E-04 3.42430602346E-04 3.59987394761E-04
3.78444343172E-04 3.97847599564E-04 4.18245682184E-04 4.39689596864E-04
4.62232964560E-04 4.85932155435E-04 5.10846429808E-04 5.37038086344E-04
5.64572617827E-04 5.93518874926E-04 6.23949238364E-04 6.55939799898E-04
6.89570552595E-04 7.24925590855E-04 7.62093320689E-04 8.01166680782E-04
8.42243374886E-04 8.85426116132E-04 9.30822883866E-04 9.78547193653E-04
1.02871838113E-03 1.08146190039E-03 1.13690963771E-03 1.19520024132E-03
1.25647946808E-03 1.32090054798E-03 1.38862456728E-03 1.45982087130E-03
1.53466748788E-03 1.61335157256E-03 1.69606987653E-03 1.78302923862E-03
1.87444710256E-03 1.97055206061E-03 2.07158442522E-03 2.17779682994E-03
2.28945486109E-03 2.40683772192E-03 2.53023893073E-03 2.65996705480E-03
2.79634648202E-03 2.93971823200E-03 3.09044080879E-03 3.24889109734E-03
3.41546530591E-03 3.59057995678E-03 3.77467292779E-03 3.96820454726E-03
4.17165874504E-03 4.38554426261E-03 4.61039592516E-03 4.84677597897E-03
5.09527549730E-03 5.35651585838E-03 5.63115029919E-03 5.91986554889E-03
6.22338354598E-03 6.54246324355E-03 6.87790250705E-03 7.23054010935E-03
7.60125782815E-03 7.99098265084E-03 8.40068909247E-03 8.83140163255E-03
9.28419727679E-03 9.76020825014E-03 1.02606248280E-02 1.07866983124E-02
1.13397441612E-02 1.19211452769E-02 1.25323554654E-02 1.31749030702E-02
1.38503947953E-02 1.45605197217E-02 1.53070535316E-02 1.60918629485E-02
1.69169104046E-02 1.77842589483E-02 1.86960774028E-02 1.96546457892E-02
2.06623610277E-02 2.17217429313E-02 2.28354405066E-02 2.40062385776E-02
2.52370647493E-02 2.65309967283E-02 2.78912700186E-02 2.93212860117E-02
3.08246204927E-02 3.24050325807E-02 3.40664741293E-02 3.58130996075E-02
3.76492764890E-02 3.95795961724E-02 4.16088854623E-02 4.37422186389E-02
4.59849301464E-02 4.83426279318E-02 5.08212074676E-02 5.34268664936E-02
5.61661205147E-02 5.90458190926E-02 6.20731629739E-02 6.52557220951E-02
6.86014545118E-02 7.21187262976E-02 7.58163324641E-02 7.97035189527E-02
8.37900057545E-02 8.80860112148E-02 9.26022775852E-02 9.73500978839E-02
1.02341344135E-01 1.07588497053E-01 1.13104677254E-01 1.18903678063E-01
1.25000000000E-01 1.31408887047E-01 1.38146364759E-01 1.45229280341E-01
1.52675344770E-01 1.60503177086E-01 1.68732350947E-01 1.77383443574E-01
1.86478087205E-01 1.96039023186E-01 2.06090158838E-01 2.16656627233E-01
2.27764850049E-01 2.39442603627E-01 2.51719088434E-01 2.64625002077E-01
2.78192616062E-01 2.92455856491E-01 3.07450388895E-01 3.23213707414E-01
3.39785228557E-01 3.57206389758E-01 3.75520752993E-01 3.94774113711E-01
4.15014615342E-01 4.36292869683E-01 4.58662083452E-01 4.82178191337E-01
5.06899995856E-01 5.32889314396E-01 5.60211133792E-01 5.88933772824E-01
6.19129053049E-01 6.50872478397E-01 6.84243423966E-01 7.19325334501E-01
7.56205933052E-01 7.94977440325E-01 8.35736805285E-01 8.78585947574E-01
9.23632012366E-01 9.70987638288E-01 1.02077123907E+00 1.07310729965E+00
1.12812668743E+00 1.18596697954E+00 1.24677280685E+00 1.31069621559E+00
1.37789704758E+00 1.44854333990E+00 1.52281174509E+00 1.60088797283E+00
1.68296725438E+00 1.76925483067E+00 1.85996646561E+00 1.95532898552E+00
2.05558084639E+00 2.16097273007E+00 2.27176817118E+00 2.38824421603E+00
2.51069211540E+00 2.63941805282E+00 2.77474391018E+00 2.91700807262E+00
3.06656627464E+00 3.22379248965E+00 3.38907986508E+00 3.56284170547E+00
3.74551250592E+00 3.93754903859E+00 4.13943149484E+00 4.35166468595E+00
4.57477930546E+00 4.80933325613E+00 5.05591304501E+00 5.31513525001E+00
5.58764806166E+00 5.87413290395E+00 6.17530613819E+00 6.49192085435E+00
6.82476875414E+00 7.17468213068E+00 7.54253594967E+00 7.92925003727E+00
8.33579138012E+00 8.76317654334E+00 9.21247421245E+00 9.68480786566E+00
1.01813585831E+01 1.07033680003E+01 1.12521414126E+01 1.18290510394E+01
1.24355394552E+01 1.30731231971E+01 1.37433965565E+01 1.44480355659E+01
1.51888021898E+01 1.59675487308E+01 1.67862224606E+01 1.76468704902E+01
1.85516448878E+01 1.95028080608E+01 2.05027384125E+01 2.15539362896E+01
2.26590302344E+01 2.38207835573E+01 2.50421012468E+01 2.63260372333E+01
2.76758020255E+01 2.90947707385E+01 3.05864915330E+01 3.21546944882E+01
3.38033009283E+01 3.55364332280E+01 3.73584251209E+01 3.92738325357E+01
4.12874449887E+01 4.34042975598E+01 4.56296834832E+01 4.79691673826E+01
5.04285991866E+01 5.30141287556E+01 5.57322212603E+01 5.85896733478E+01
6.15936301367E+01
</PP_R>
<PP_RAB>
2.09664142439E-06 2.20413852893E-06 2.31714712787E-06 2.43594980158E-06
2.56084361862E-06 2.69214087860E-06 2.83016989304E-06 2.97527580639E-06
3.12782145900E-06 3.28818829448E-06 3.45677731342E-06 3.63401007621E-06
3.82032975706E-06 4.01620225222E-06 4.22211734496E-06 4.43858993027E-06
4.66616130235E-06 4.90540050819E-06 5.15690577041E-06 5.42130598317E-06
5.69926228472E-06 5.99146971059E-06 6.29865893155E-06 6.62159808067E-06
6.96109467403E-06 7.31799762994E-06 7.69319939171E-06 8.08763815916E-06
8.50230023467E-06 8.93822248942E-06 9.39649495611E-06 9.87826355460E-06
1.03847329573E-05 1.09171696016E-05 1.14769048564E-05 1.20653383514E-05
1.26839414768E-05 1.33342610627E-05 1.40179232468E-05 1.47366375406E-05
1.54922011042E-05 1.62865032401E-05 1.71215301173E-05 1.79993697381E-05
1.89222171586E-05 1.98923799782E-05 2.09122841092E-05 2.19844798432E-05
2.31116482280E-05 2.42966077717E-05 2.55423214904E-05 2.68519043172E-05
2.82286308913E-05 2.96759437463E-05 3.11974619182E-05 3.27969899949E-05
3.44785276298E-05 3.62462795428E-05 3.81046660345E-05 4.00583340391E-05
4.21121687443E-05 4.42713058066E-05 4.65411441933E-05 4.89273596827E-05
5.14359190564E-05 5.40730950195E-05 5.68454818856E-05 5.97600120659E-05
6.28239734040E-05 6.60450273991E-05 6.94312283640E-05 7.29910435650E-05
7.67333743942E-05 8.06675786280E-05 8.48034938263E-05 8.91514619312E-05
9.37223551280E-05 9.85276030303E-05 1.03579221261E-04 1.08889841497E-04
1.14472743055E-04 1.20341886096E-04 1.26511946536E-04 1.32998352740E-04
1.39817324101E-04 1.46985911600E-04 1.54522040440E-04 1.62444554867E-04
1.70773265296E-04 1.79528997839E-04 1.88733646389E-04 1.98410227363E-04
2.08582937252E-04 2.19277213130E-04 2.30519796258E-04 2.42338798948E-04
2.54763774865E-04 2.67825792919E-04 2.81557514960E-04 2.95993277445E-04
3.11169177299E-04 3.27123162178E-04 3.43895125353E-04 3.61527005468E-04
3.80062891408E-04 3.99549132542E-04 4.20034454623E-04 4.41570081628E-04
4.64209863840E-04 4.88010412507E-04 5.13031241399E-04 5.39334915621E-04
5.66987208059E-04 5.96057263847E-04 6.26617773268E-04 6.58745153512E-04
6.92519739765E-04 7.28025986084E-04 7.65352676581E-04 8.04593147424E-04
8.45845520229E-04 8.89212947416E-04 9.34803870141E-04 9.82732289460E-04
1.03311805138E-03 1.08608714657E-03 1.14177202533E-03 1.20031192888E-03
1.26185323747E-03 1.32654983642E-03 1.39456350093E-03 1.46606430059E-03
1.54123102464E-03 1.62025162904E-03 1.70332370646E-03 1.79065498038E-03
1.88246382445E-03 1.97897980862E-03 2.08044427311E-03 2.18711093194E-03
2.29924650732E-03 2.41713139659E-03 2.54106037338E-03 2.67134332468E-03
2.80830602573E-03 2.95229095463E-03 3.10365814870E-03 3.26278610476E-03
3.43007272559E-03 3.60593631488E-03 3.79081662320E-03 3.98517594764E-03
4.18950028772E-03 4.40430056074E-03 4.63011387926E-03 4.86750489420E-03
5.11706720674E-03 5.37942485266E-03 5.65523386272E-03 5.94518390313E-03
6.25000000000E-03 6.57044435235E-03 6.90731823797E-03 7.26146401705E-03
7.63376723850E-03 8.02515885430E-03 8.43661754735E-03 8.86917217871E-03
9.32390436026E-03 9.80195115931E-03 1.03045079419E-02 1.08328313617E-02
1.13882425024E-02 1.19721301813E-02 1.25859544217E-02 1.32312501038E-02
1.39096308031E-02 1.46227928245E-02 1.53725194447E-02 1.61606853707E-02
1.69892614279E-02 1.78603194879E-02 1.87760376497E-02 1.97387056856E-02
2.07507307671E-02 2.18146434841E-02 2.29331041726E-02 2.41089095669E-02
2.53449997928E-02 2.66444657198E-02 2.80105566896E-02 2.94466886412E-02
3.09564526525E-02 3.25436239199E-02 3.42121711983E-02 3.59662667250E-02
3.78102966526E-02 3.97488720163E-02 4.17868402642E-02 4.39292973787E-02
4.61816006183E-02 4.85493819144E-02 5.10385619535E-02 5.36553649824E-02
5.64063343715E-02 5.92983489772E-02 6.23386403426E-02 6.55348107795E-02
6.88948523790E-02 7.24271669951E-02 7.61405872544E-02 8.00443986416E-02
8.41483627188E-02 8.84627415336E-02 9.29983232805E-02 9.77664492762E-02
1.02779042319E-01 1.08048636504E-01 1.13588408559E-01 1.19412210801E-01
1.25534605770E-01 1.31970902641E-01 1.38737195509E-01 1.45850403631E-01
1.53328313732E-01 1.61189624482E-01 1.69453993254E-01 1.78142085274E-01
1.87275625296E-01 1.96877451930E-01 2.06971574742E-01 2.17583234298E-01
2.28738965273E-01 2.40466662806E-01 2.52795652250E-01 2.65756762500E-01
2.79382403083E-01 2.93706645197E-01 3.08765306910E-01 3.24596042718E-01
3.41238437707E-01 3.58734106534E-01 3.77126797484E-01 3.96462501863E-01
4.16789569006E-01 4.38158827167E-01 4.60623710622E-01 4.84240393283E-01
5.09067929156E-01 5.35168400014E-01 5.62607070628E-01 5.91452551968E-01
6.21776972762E-01 6.53656159857E-01 6.87169827826E-01 7.22401778295E-01
7.59440109492E-01 7.98377436538E-01 8.39311123031E-01 8.82343524509E-01
9.27582244391E-01 9.75140403040E-01 1.02513692062E+00 1.07769681448E+00
1.13295151172E+00 1.19103917787E+00 1.25210506234E+00 1.31630186167E+00
1.38379010128E+00 1.45473853692E+00 1.52932457665E+00 1.60773472441E+00
1.69016504641E+00 1.77682166140E+00 1.86792125604E+00 1.96369162679E+00
2.06437224944E+00 2.17021487799E+00 2.28148417416E+00 2.39845836913E+00
2.52142995933E+00 2.65070643778E+00 2.78661106302E+00 2.92948366739E+00
3.07968150683E+00
</PP_RAB>
</PP_MESH>
<PP_LOCAL>
-3.67588380000E+01 -3.67588370000E+01 -3.67588360000E+01 -3.67588350000E+01
-3.67588340000E+01 -3.67588330000E+01 -3.67588330000E+01 -3.67588320000E+01
-3.67588310000E+01 -3.67588290000E+01 -3.67588280000E+01 -3.67588270000E+01
-3.67588260000E+01 -3.67588240000E+01 -3.67588220000E+01 -3.67588200000E+01
-3.67588170000E+01 -3.67588150000E+01 -3.67588130000E+01 -3.67588100000E+01
-3.67588060000E+01 -3.67588030000E+01 -3.67587980000E+01 -3.67587940000E+01
-3.67587890000E+01 -3.67587830000E+01 -3.67587770000E+01 -3.67587700000E+01
-3.67587630000E+01 -3.67587550000E+01 -3.67587460000E+01 -3.67587360000E+01
-3.67587240000E+01 -3.67587120000E+01 -3.67586980000E+01 -3.67586830000E+01
-3.67586670000E+01 -3.67586480000E+01 -3.67586280000E+01 -3.67586060000E+01
-3.67585810000E+01 -3.67585540000E+01 -3.67585230000E+01 -3.67584900000E+01
-3.67584530000E+01 -3.67584120000E+01 -3.67583670000E+01 -3.67583170000E+01
-3.67582620000E+01 -3.67582010000E+01 -3.67581340000E+01 -3.67580600000E+01
-3.67579770000E+01 -3.67578870000E+01 -3.67577860000E+01 -3.67576750000E+01
-3.67575530000E+01 -3.67574180000E+01 -3.67572680000E+01 -3.67571030000E+01
-3.67569200000E+01 -3.67567190000E+01 -3.67564960000E+01 -3.67562500000E+01
-3.67559780000E+01 -3.67556780000E+01 -3.67553470000E+01 -3.67549810000E+01
-3.67545760000E+01 -3.67541300000E+01 -3.67536370000E+01 -3.67530930000E+01
-3.67524920000E+01 -3.67518290000E+01 -3.67510970000E+01 -3.67502900000E+01
-3.67493990000E+01 -3.67484160000E+01 -3.67473320000E+01 -3.67461370000E+01
-3.67448190000E+01 -3.67433670000E+01 -3.67417670000E+01 -3.67400050000E+01
-3.67380640000E+01 -3.67359270000E+01 -3.67335770000E+01 -3.67309910000E+01
-3.67281490000E+01 -3.67250250000E+01 -3.67215940000E+01 -3.67178290000E+01
-3.67136980000E+01 -3.67091710000E+01 -3.67042100000E+01 -3.66987810000E+01
-3.66928430000E+01 -3.66863540000E+01 -3.66792690000E+01 -3.66715420000E+01
-3.66631220000E+01 -3.66539570000E+01 -3.66439930000E+01 -3.66331720000E+01
-3.66214350000E+01 -3.66087200000E+01 -3.65949630000E+01 -3.65800980000E+01
-3.65640580000E+01 -3.65467740000E+01 -3.65281740000E+01 -3.65081870000E+01
-3.64867400000E+01 -3.64637600000E+01 -3.64391740000E+01 -3.64129070000E+01
-3.63848880000E+01 -3.63550440000E+01 -3.63233060000E+01 -3.62896070000E+01
-3.62538820000E+01 -3.62160720000E+01 -3.61761210000E+01 -3.61339810000E+01
-3.60896110000E+01 -3.60429780000E+01 -3.59940600000E+01 -3.59428440000E+01
-3.58893310000E+01 -3.58335360000E+01 -3.57754880000E+01 -3.57152330000E+01
-3.56528340000E+01 -3.55883720000E+01 -3.55219460000E+01 -3.54536750000E+01
-3.53836960000E+01 -3.53121640000E+01 -3.52392510000E+01 -3.51651460000E+01
-3.50900520000E+01 -3.50141800000E+01 -3.49377530000E+01 -3.48609970000E+01
-3.47841390000E+01 -3.47074000000E+01 -3.46309940000E+01 -3.45551220000E+01
-3.44799630000E+01 -3.44056740000E+01 -3.43323790000E+01 -3.42601690000E+01
-3.41890970000E+01 -3.41191690000E+01 -3.40503430000E+01 -3.39825270000E+01
-3.39155730000E+01 -3.38492750000E+01 -3.37833690000E+01 -3.37175270000E+01
-3.36513590000E+01 -3.35844080000E+01 -3.35161520000E+01 -3.34459930000E+01
-3.33732640000E+01 -3.32972140000E+01 -3.32170080000E+01 -3.31317140000E+01
-3.30402960000E+01 -3.29415940000E+01 -3.28343100000E+01 -3.27169820000E+01
-3.25879640000E+01 -3.24453860000E+01 -3.22871270000E+01 -3.21107680000E+01
-3.19135570000E+01 -3.16923570000E+01 -3.14436120000E+01 -3.11633070000E+01
-3.08469510000E+01 -3.04895760000E+01 -3.00857810000E+01 -2.96298530000E+01
-2.91160310000E+01 -2.85390720000E+01 -2.78948570000E+01 -2.71794360000E+01
-2.63865050000E+01 -2.55079930000E+01 -2.45381120000E+01 -2.34757280000E+01
-2.23248600000E+01 -2.10951850000E+01 -1.98026800000E+01 -1.84700900000E+01
-1.71269260000E+01 -1.58087610000E+01 -1.45555690000E+01 -1.34089160000E+01
-1.24077730000E+01 -1.15827430000E+01 -1.09484550000E+01 -1.04942540000E+01
-1.01747900000E+01 -9.90643530000E+00 -9.58479250000E+00 -9.15548380000E+00
-8.70892150000E+00 -8.28418210000E+00 -7.88015830000E+00 -7.49583850000E+00
-7.13026220000E+00 -6.78251520000E+00 -6.45172800000E+00 -6.13707340000E+00
-5.83776480000E+00 -5.55305370000E+00 -5.28222810000E+00 -5.02461080000E+00
-4.77955760000E+00 -4.54645580000E+00 -4.32472260000E+00 -4.11380340000E+00
-3.91317080000E+00 -3.72232320000E+00 -3.54078340000E+00 -3.36809730000E+00
-3.20383330000E+00 -3.04758050000E+00 -2.89894820000E+00 -2.75756490000E+00
-2.62307680000E+00 -2.49514790000E+00 -2.37345810000E+00 -2.25770320000E+00
-2.14759370000E+00 -2.04285430000E+00 -1.94322310000E+00 -1.84845100000E+00
-1.75830100000E+00 -1.67254760000E+00 -1.59097650000E+00 -1.51338370000E+00
-1.43957510000E+00 -1.36936620000E+00 -1.30258140000E+00 -1.23905380000E+00
-1.17862440000E+00 -1.12114220000E+00 -1.06646350000E+00 -1.01445140000E+00
-9.64976040000E-01 -9.17913610000E-01 -8.73146430000E-01 -8.30562580000E-01
-7.90055560000E-01 -7.51524100000E-01 -7.14871840000E-01 -6.80007120000E-01
-6.46842790000E-01 -6.15295890000E-01 -5.85287560000E-01 -5.56742750000E-01
-5.29590080000E-01 -5.03761670000E-01 -4.79192920000E-01 -4.55822410000E-01
-4.33591690000E-01 -4.12445170000E-01 -3.92329980000E-01 -3.73195820000E-01
-3.54994850000E-01 -3.37681550000E-01 -3.21212620000E-01 -3.05546900000E-01
-2.90645200000E-01 -2.76470270000E-01 -2.62986650000E-01 -2.50160640000E-01
-2.37960160000E-01 -2.26354710000E-01 -2.15315260000E-01 -2.04814210000E-01
-1.94825300000E-01
</PP_LOCAL>
<PP_NONLOCAL>
<PP_BETA>
1 0 Beta L
249
1.10358162536E-03 1.16016347574E-03 1.21964639409E-03 1.28217900311E-03
1.34791764930E-03 1.41702685860E-03 1.48967947215E-03 1.56605697509E-03
1.64635043345E-03 1.73076052636E-03 1.81949850944E-03 1.91278633478E-03
2.01085700561E-03 2.11395572002E-03 2.22234065999E-03 2.33628246766E-03
2.45606612693E-03 2.58199130945E-03 2.71437302153E-03 2.85354190182E-03
2.99984605971E-03 3.15365142096E-03 3.31534242066E-03 3.48532382405E-03
3.66402019990E-03 3.85187864599E-03 4.04936861741E-03 4.25698389078E-03
4.47524445882E-03 4.70469512332E-03 4.94591001721E-03 5.19949217588E-03
5.46607548686E-03 5.74632764718E-03 6.04094776690E-03 6.35067376897E-03
6.67628006678E-03 7.01857987576E-03 7.37843059506E-03 7.75673077290E-03
8.15442684876E-03 8.57251325384E-03 9.01203486764E-03 9.47409222559E-03
9.95983934941E-03 1.04704912307E-02 1.10073246699E-02 1.15716822501E-02
1.21649750850E-02 1.27886866675E-02 1.34443765338E-02 1.41336844786E-02
1.48583330420E-02 1.56201366944E-02 1.64209981262E-02 1.72629196281E-02
1.81480092448E-02 1.90784771121E-02 2.00566514748E-02 2.10849780069E-02
2.21660263243E-02 2.33025028126E-02 2.44972476926E-02 2.57532489491E-02
2.70736439670E-02 2.84617375697E-02 2.99210041720E-02 3.14550851903E-02
3.30678192039E-02 3.47632428569E-02 3.65455908567E-02 3.84193213499E-02
4.03891197254E-02 4.24599132460E-02 4.46368741096E-02 4.69254554497E-02
4.93313706407E-02 5.18606396458E-02 5.45195878320E-02 5.73148593995E-02
6.02534452447E-02 6.33427012335E-02 6.65903428040E-02 7.00044925089E-02
7.35936873945E-02 7.73668982229E-02 8.13335725722E-02 8.55036146021E-02
8.98874565947E-02 9.44960598316E-02 9.93409408804E-02 1.04434231685E-01
1.09788643179E-01 1.15417586110E-01 1.21335112202E-01 1.27556040097E-01
1.34095904980E-01 1.40971063777E-01 1.48198706021E-01 1.55796902616E-01
1.63784647987E-01 1.72181911384E-01 1.81009686354E-01 1.90290037162E-01
2.00046163620E-01 2.10302474110E-01 2.21084585267E-01 2.32419451359E-01
2.44335419265E-01 2.56862246791E-01 2.70031249266E-01 2.83875339017E-01
2.98429125232E-01 3.13728979275E-01 3.29813127364E-01 3.46721697362E-01
3.64497035956E-01 3.83183445492E-01 4.02827692777E-01 4.23478769046E-01
4.45188257948E-01 4.68010397466E-01 4.92002110624E-01 5.17223265041E-01
5.43736882540E-01 5.71609021748E-01 6.00909243568E-01 6.31710616591E-01
6.64089837701E-01 6.98127680260E-01 7.33908835644E-01 7.71522444278E-01
8.11062053238E-01 8.52625970791E-01 8.96317509821E-01 9.42245185740E-01
9.90522922792E-01 1.04127031327E+00 1.09461297084E+00 1.15068288914E+00
1.20961846799E+00 1.27156487728E+00 1.33667443376E+00 1.40510710807E+00
1.47703015415E+00 1.55261919249E+00 1.63205787503E+00 1.71553861746E+00
1.80326245593E+00 1.89543964655E+00 1.99228897445E+00 2.09403935036E+00
2.20092835217E+00 2.31320279873E+00 2.43111887488E+00 2.55494025075E+00
2.68493920591E+00 2.82139427456E+00 2.96458972200E+00 3.11481250156E+00
3.27235088945E+00 3.43749014414E+00 3.61050896987E+00 3.79167215187E+00
3.98122544089E+00 4.17938372221E+00 4.38632119926E+00 4.60215421757E+00
4.82692568077E+00 5.06057716643E+00 5.30292380423E+00 5.55361574692E+00
5.81209591237E+00 6.07754525255E+00 6.34881940060E+00 6.62437022076E+00
6.90215712228E+00 7.17953816729E+00 7.45315321964E+00 7.71878544435E+00
7.97121934823E+00 8.20408655843E+00 8.40972338662E+00 8.57904651292E+00
8.70147550840E+00 8.76493516829E+00 8.75598698172E+00 8.66014089287E+00
8.46243081667E+00 8.14832562617E+00 7.70505724398E+00 7.12342981311E+00
6.40011023444E+00 5.54033159777E+00 4.56075030291E+00 3.49204216119E+00
2.38051693943E+00 1.28782476481E+00 2.87672591096E-01 -5.41417179081E-01
-1.12776869466E+00 -1.42204642662E+00 -1.41449982940E+00 -1.14983273514E+00
-7.33204895726E-01 -3.17504350900E-01 -5.65955904724E-02 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00
</PP_BETA>
<PP_DIJ>
1 Number of nonzero Dij
1 1 4.50662283680E-01
</PP_DIJ>
</PP_NONLOCAL>
<PP_PSWFC>
2S 0 2.00 Wavefunction
6.02267680000E-05 6.33146610000E-05 6.65608730000E-05 6.99735220000E-05
7.35611410000E-05 7.73327010000E-05 8.12976340000E-05 8.54658530000E-05
8.98477810000E-05 9.44543750000E-05 9.92971540000E-05 1.04388230000E-04
1.09740330000E-04 1.15366830000E-04 1.21281820000E-04 1.27500070000E-04
1.34037140000E-04 1.40909370000E-04 1.48133950000E-04 1.55728940000E-04
1.63713330000E-04 1.72107090000E-04 1.80931210000E-04 1.90207750000E-04
1.99959910000E-04 2.10212080000E-04 2.20989880000E-04 2.32320270000E-04
2.44231590000E-04 2.56753610000E-04 2.69917650000E-04 2.83756620000E-04
2.98305130000E-04 3.13599570000E-04 3.29678160000E-04 3.46581120000E-04
3.64350710000E-04 3.83031370000E-04 4.02669810000E-04 4.23315130000E-04
4.45018960000E-04 4.67835570000E-04 4.91822010000E-04 5.17038260000E-04
5.43547380000E-04 5.71415650000E-04 6.00712750000E-04 6.31511950000E-04
6.63890260000E-04 6.97928640000E-04 7.33712200000E-04 7.71330430000E-04
8.10877380000E-04 8.52451940000E-04 8.96158080000E-04 9.42105080000E-04
9.90407830000E-04 1.04118710000E-03 1.09456990000E-03 1.15068970000E-03
1.20968680000E-03 1.27170870000E-03 1.33691060000E-03 1.40545550000E-03
1.47751470000E-03 1.55326840000E-03 1.63290620000E-03 1.71662700000E-03
1.80464030000E-03 1.89716610000E-03 1.99443580000E-03 2.09669260000E-03
2.20419220000E-03 2.31720350000E-03 2.43600890000E-03 2.56090560000E-03
2.69220580000E-03 2.83023790000E-03 2.97534710000E-03 3.12789600000E-03
3.28826630000E-03 3.45685890000E-03 3.63409540000E-03 3.82041890000E-03
4.01629530000E-03 4.22221440000E-03 4.43869110000E-03 4.66626660000E-03
4.90551000000E-03 5.15701950000E-03 5.42142390000E-03 5.69938440000E-03
5.99159590000E-03 6.29878900000E-03 6.62173190000E-03 6.96123190000E-03
7.31813790000E-03 7.69334220000E-03 8.08778290000E-03 8.50244620000E-03
8.93836870000E-03 9.39664020000E-03 9.87840640000E-03 1.03848720000E-02
1.09173020000E-02 1.14770290000E-02 1.20654510000E-02 1.26840390000E-02
1.33343400000E-02 1.40179780000E-02 1.47366620000E-02 1.54921890000E-02
1.62864470000E-02 1.71214200000E-02 1.79991950000E-02 1.89219640000E-02
1.98920340000E-02 2.09118270000E-02 2.19838920000E-02 2.31109050000E-02
2.42956800000E-02 2.55411770000E-02 2.68505040000E-02 2.82269300000E-02
2.96738900000E-02 3.11949940000E-02 3.27940370000E-02 3.44750070000E-02
3.62420940000E-02 3.80997030000E-02 4.00524630000E-02 4.21052380000E-02
4.42631370000E-02 4.65315320000E-02 4.89160640000E-02 5.14226610000E-02
5.40575500000E-02 5.68272720000E-02 5.97386990000E-02 6.27990470000E-02
6.60158940000E-02 6.93971990000E-02 7.29513170000E-02 7.66870190000E-02
8.06135100000E-02 8.47404550000E-02 8.90779890000E-02 9.36367480000E-02
9.84278860000E-02 1.03463100000E-01 1.08754640000E-01 1.14315370000E-01
1.20158730000E-01 1.26298820000E-01 1.32750400000E-01 1.39528880000E-01
1.46650410000E-01 1.54131840000E-01 1.61990790000E-01 1.70245620000E-01
1.78915480000E-01 1.88020330000E-01 1.97580920000E-01 2.07618810000E-01
2.18156380000E-01 2.29216800000E-01 2.40824030000E-01 2.53002780000E-01
2.65778490000E-01 2.79177210000E-01 2.93225590000E-01 3.07950710000E-01
3.23379970000E-01 3.39540870000E-01 3.56460790000E-01 3.74166650000E-01
3.92684510000E-01 4.12039050000E-01 4.32252910000E-01 4.53345810000E-01
4.75333480000E-01 4.98226230000E-01 5.22027160000E-01 5.46729890000E-01
5.72315600000E-01 5.98749330000E-01 6.25975370000E-01 6.53911440000E-01
6.82441550000E-01 7.11407500000E-01 7.40598790000E-01 7.69741280000E-01
7.98484980000E-01 8.26392070000E-01 8.52926910000E-01 8.77450660000E-01
8.99224470000E-01 9.17425960000E-01 9.31184180000E-01 9.39637380000E-01
9.42014700000E-01 9.37736480000E-01 9.26518360000E-01 9.08453110000E-01
8.84034430000E-01 8.54087880000E-01 8.19594030000E-01 7.81449590000E-01
7.40339420000E-01 6.96867730000E-01 6.51645620000E-01 6.05283930000E-01
5.58381280000E-01 5.11512830000E-01 4.65219880000E-01 4.20000720000E-01
3.76302710000E-01 3.34515900000E-01 2.94968270000E-01 2.57922750000E-01
2.23575940000E-01 1.92058740000E-01 1.63438680000E-01 1.37723930000E-01
1.14868680000E-01 9.47797450000E-02 7.73240020000E-02 6.23362270000E-02
4.96270370000E-02 3.89904890000E-02 3.02110590000E-02 2.30698800000E-02
1.73502870000E-02 1.28428640000E-02 9.35009200000E-03 6.69044460000E-03
4.70152060000E-03 3.24187010000E-03 2.19143640000E-03 1.45082670000E-03
9.39744170000E-04 5.94896720000E-04 3.67634930000E-04 2.21520610000E-04
1.29982330000E-04 7.41733420000E-05 4.11048460000E-05 2.20889370000E-05
1.14923410000E-05 5.77950300000E-06 2.80437540000E-06 1.31033560000E-06
5.88429340000E-07 2.53372310000E-07 1.04324730000E-07 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00
2P 1 4.00 Wavefunction
8.63639410000E-09 9.54469160000E-09 1.05485160000E-08 1.16579130000E-08
1.28839860000E-08 1.42390070000E-08 1.57365360000E-08 1.73915620000E-08
1.92206480000E-08 2.12421020000E-08 2.34761530000E-08 2.59451620000E-08
2.86738380000E-08 3.16894920000E-08 3.50223050000E-08 3.87056330000E-08
4.27763390000E-08 4.72751660000E-08 5.22471390000E-08 5.77420180000E-08
6.38147990000E-08 7.05262600000E-08 7.79435710000E-08 8.61409680000E-08
9.52004920000E-08 1.05212810000E-07 1.16278140000E-07 1.28507220000E-07
1.42022440000E-07 1.56959070000E-07 1.73466600000E-07 1.91710240000E-07
2.11872580000E-07 2.34155410000E-07 2.58781750000E-07 2.85998060000E-07
3.16076730000E-07 3.49318810000E-07 3.86056980000E-07 4.26658940000E-07
4.71531050000E-07 5.21122390000E-07 5.75929300000E-07 6.36500290000E-07
7.03441590000E-07 7.77423170000E-07 8.59185450000E-07 9.49546730000E-07
1.04941140000E-06 1.15977890000E-06 1.28175380000E-06 1.41655700000E-06
1.56553750000E-06 1.73018640000E-06 1.91215150000E-06 2.11325410000E-06
2.33550670000E-06 2.58113390000E-06 2.85259370000E-06 3.15260320000E-06
3.48416490000E-06 3.85059720000E-06 4.25556730000E-06 4.70312830000E-06
5.19775950000E-06 5.74441140000E-06 6.34855480000E-06 7.01623610000E-06
7.75413770000E-06 8.56964450000E-06 9.47091830000E-06 1.04669790000E-05
1.15677950000E-05 1.27843850000E-05 1.41289220000E-05 1.56148640000E-05
1.72570820000E-05 1.90720100000E-05 2.10778130000E-05 2.32945640000E-05
2.57444480000E-05 2.84519830000E-05 3.14442650000E-05 3.47512380000E-05
3.84059990000E-05 4.24451200000E-05 4.69090240000E-05 5.18423810000E-05
5.72945600000E-05 6.33201210000E-05 6.99793590000E-05 7.73389130000E-05
8.54724240000E-05 9.44612780000E-05 1.04395420000E-04 1.15374250000E-04
1.27507610000E-04 1.40916900000E-04 1.55736290000E-04 1.72114030000E-04
1.90213970000E-04 2.10217170000E-04 2.32323730000E-04 2.56754790000E-04
2.83754690000E-04 3.13593480000E-04 3.46569570000E-04 3.83012710000E-04
4.23287310000E-04 4.67796040000E-04 5.16983840000E-04 5.71342390000E-04
6.31414970000E-04 6.97801900000E-04 7.71166470000E-04 8.52241570000E-04
9.41836950000E-04 1.04084730000E-03 1.15026100000E-03 1.27117000000E-03
1.40478080000E-03 1.55242600000E-03 1.71557770000E-03 1.89586210000E-03
2.09507520000E-03 2.31520060000E-03 2.55842910000E-03 2.82717990000E-03
3.12412430000E-03 3.45221170000E-03 3.81469820000E-03 4.21517820000E-03
4.65761880000E-03 5.14639800000E-03 5.68634650000E-03 6.28279380000E-03
6.94161810000E-03 7.66930180000E-03 8.47299220000E-03 9.36056680000E-03
1.03407060000E-02 1.14229740000E-02 1.26178980000E-02 1.39370710000E-02
1.53932460000E-02 1.70004490000E-02 1.87740950000E-02 2.07311200000E-02
2.28901150000E-02 2.52714710000E-02 2.78975420000E-02 3.07928030000E-02
3.39840280000E-02 3.75004710000E-02 4.13740520000E-02 4.56395530000E-02
5.03348080000E-02 5.55008950000E-02 6.11823180000E-02 6.74271800000E-02
7.42873280000E-02 8.18184680000E-02 9.00802370000E-02 9.91362140000E-02
1.09053850000E-01 1.19904280000E-01 1.31762050000E-01 1.44704620000E-01
1.58811690000E-01 1.74164320000E-01 1.90843640000E-01 2.08929330000E-01
2.28497580000E-01 2.49618610000E-01 2.72353620000E-01 2.96751110000E-01
3.22842510000E-01 3.50637110000E-01 3.80116300000E-01 4.11227060000E-01
4.43874970000E-01 4.77916860000E-01 5.13153460000E-01 5.49322580000E-01
5.86093500000E-01 6.23063390000E-01 6.59756990000E-01 6.95630580000E-01
7.30081680000E-01 7.62465520000E-01 7.92119210000E-01 8.18393570000E-01
8.40691950000E-01 8.58513680000E-01 8.71498380000E-01 8.79465860000E-01
8.82444990000E-01 8.80684650000E-01 8.74640340000E-01 8.64932170000E-01
8.52273210000E-01 8.37372140000E-01 8.20820870000E-01 8.02986960000E-01
7.83943800000E-01 7.63484770000E-01 7.41266350000E-01 7.17068210000E-01
6.90969470000E-01 6.63195010000E-01 6.33987800000E-01 6.03598480000E-01
5.72281800000E-01 5.40293190000E-01 5.07885530000E-01 4.75306080000E-01
4.42793550000E-01 4.10575420000E-01 3.78865490000E-01 3.47861680000E-01
3.17744100000E-01 2.88673650000E-01 2.60790910000E-01 2.34215690000E-01
2.09047120000E-01 1.85364280000E-01 1.63227340000E-01 1.42679010000E-01
1.23745990000E-01 1.06439940000E-01 9.07576110000E-02 7.66797850000E-02
6.41694000000E-02 5.31698180000E-02 4.36046380000E-02 3.53799010000E-02
2.83883510000E-02 2.25145040000E-02 1.76393190000E-02 1.36439710000E-02
1.04128030000E-02 7.83568760000E-03 5.80991040000E-03 4.24159850000E-03
3.04667380000E-03 2.15134220000E-03 1.49214870000E-03 1.01565640000E-03
6.77795670000E-04 4.43058370000E-04 2.83349310000E-04 1.77071920000E-04
1.08011120000E-04 6.42335570000E-05 3.71921460000E-05 2.09370480000E-05
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00
</PP_PSWFC>
<PP_RHOATOM>
7.25452746580E-09 8.01749295949E-09 8.86070007413E-09 9.79258810580E-09
1.08224835944E-08 1.19606940989E-08 1.32186115786E-08 1.46088252679E-08
1.61452489790E-08 1.78432597182E-08 1.97198517895E-08 2.17938078177E-08
2.40858833458E-08 2.66190149454E-08 2.94185646313E-08 3.25125416925E-08
3.59319171180E-08 3.97109100474E-08 4.38873452043E-08 4.85030188436E-08
5.36041251287E-08 5.92417207523E-08 6.54722298049E-08 7.23580060012E-08
7.99679674670E-08 8.83782814348E-08 9.76731082073E-08 1.07945481762E-07
1.19298219789E-07 1.31844931041E-07 1.45711195926E-07 1.61035785799E-07
1.77972080729E-07 1.96689599923E-07 2.17375646234E-07 2.40237272660E-07
2.65503279373E-07 2.93426548903E-07 3.24286547931E-07 3.58392126725E-07
3.96084638885E-07 4.37741327389E-07 4.83779105819E-07 5.34658745138E-07
5.90889487930E-07 6.53034107677E-07 7.21714568824E-07 7.97618292542E-07
8.81504959703E-07 9.74214153413E-07 1.07667375643E-06 1.18990929102E-06
1.31505405442E-06 1.45336059420E-06 1.60621323399E-06 1.77514182690E-06
1.96183715782E-06 2.16816780342E-06 2.39619908114E-06 2.64821332700E-06
2.92673286581E-06 3.23454534371E-06 3.57473234420E-06 3.95069880262E-06
4.36620744425E-06 4.82541743793E-06 5.33292653259E-06 5.89381342453E-06
6.51369373137E-06 7.19877217721E-06 7.95590711382E-06 8.79267794839E-06
9.71746176461E-06 1.07395178828E-05 1.18690772275E-05 1.31174502801E-05
1.44971353666E-05 1.60219481075E-05 1.77071578278E-05 1.95696373205E-05
2.16280416258E-05 2.39029849704E-05 2.64172537198E-05 2.91960317371E-05
3.22671559566E-05 3.56613952320E-05 3.94127591886E-05 4.35588384944E-05
4.81411873866E-05 5.32057379977E-05 5.88032626497E-05 6.49898903078E-05
7.18276649989E-05 7.93851774652E-05 8.77382603258E-05 9.69707440014E-05
1.07175317409E-04 1.18454458703E-04 1.30921479643E-04 1.44701675725E-04
1.59933595452E-04 1.76770459131E-04 1.95381723269E-04 2.15954825002E-04
2.38697032815E-04 2.63837752816E-04 2.91630657534E-04 3.22356485651E-04
3.56325935058E-04 3.93882746957E-04 4.35407502968E-04 4.81321568530E-04
5.32091451225E-04 5.88233755599E-04 6.50320832194E-04 7.18986706009E-04
7.94934260676E-04 8.78942469364E-04 9.71875416408E-04 1.07469135251E-03
1.18845376971E-03 1.31434355103E-03 1.45367195749E-03 1.60789632686E-03
1.77863685584E-03 1.96769591659E-03 2.17707996335E-03 2.40902400005E-03
2.66601936558E-03 2.95084579986E-03 3.26660727416E-03 3.61677304310E-03
4.00522424571E-03 4.43630859003E-03 4.91490078058E-03 5.44647412038E-03
6.03718167139E-03 6.69395044632E-03 7.42459070371E-03 8.23792145149E-03
9.14391732355E-03 1.01538797981E-02 1.12806347038E-02 1.25387655584E-02
1.39448840787E-02 1.55179504920E-02 1.72796428208E-02 1.92547984978E-02
2.14719269437E-02 2.39638151092E-02 2.67682348416E-02 2.99287945029E-02
3.34958974268E-02 3.75279251677E-02 4.20925861159E-02 4.72684919003E-02
5.31470570919E-02 5.98346455868E-02 6.74551362331E-02 7.61528406694E-02
8.60959263728E-02 9.74803358101E-02 1.10534236288E-01 1.25523096237E-01
1.42755381069E-01 1.62588828254E-01 1.85437378132E-01 2.11778521573E-01
2.42161023016E-01 2.77212670611E-01 3.17647672975E-01 3.64273139316E-01
4.17993786258E-01 4.79813806634E-01 5.50834566923E-01 6.32246249089E-01
7.25311393840E-01 8.31337889086E-01 9.51638762510E-01 1.08747562639E+00
1.23998379039E+00 1.41007685281E+00 1.59833060560E+00 1.80484833283E+00
2.02911265498E+00 2.26983347218E+00 2.52480747111E+00 2.79080795805E+00
3.06352997622E+00 3.33761593887E+00 3.60678450690E+00 3.86407541794E+00
4.10220834575E+00 4.31403066171E+00 4.49300633297E+00 4.63368011709E+00
4.73204593640E+00 4.78576259515E+00 4.79419085159E+00 4.75826744659E+00
4.68026188797E+00 4.56346781524E+00 4.41186014534E+00 4.22972633786E+00
4.02130527308E+00 3.79056818961E+00 3.54137195459E+00 3.27807419459E+00
3.00596014750E+00 2.73055975139E+00 2.45704615033E+00 2.19006177207E+00
1.93360514215E+00 1.69095767515E+00 1.46464991983E+00 1.25646468834E+00
1.06747197079E+00 8.98090476738E-01 7.48168798665E-01 6.17079283585E-01
5.03817654233E-01 4.07103024038E-01 3.25471999195E-01 2.57363719558E-01
2.01192420811E-01 1.55406065324E-01 1.18530660664E-01 8.92008099715E-02
6.61779657671E-02 4.83583597737E-02 3.47731919895E-02 2.45835964370E-02
1.70729125034E-02 1.16379964961E-02 7.78030626126E-03 5.09647367697E-03
3.26780248190E-03 2.04863100495E-03 1.25418708613E-03 7.48841574822E-04
4.35472103477E-04 2.46299804874E-04 1.35290546308E-04 7.20627741021E-05
3.71626757867E-05 1.85240964153E-05 8.90941018838E-06 4.12720753372E-06
1.83789202889E-06 7.85269682218E-07 3.21163054953E-07 1.25421293369E-07
4.66663006728E-08 1.65039277745E-08 5.53304466364E-09 1.75343991582E-09
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00
</PP_RHOATOM>

6061
pseudo/O.pbe-rrkjus.UPF
View File

File diff suppressed because it is too large Load Diff

6062
pseudo/O.pz-rrkjus.UPF
View File

File diff suppressed because it is too large Load Diff

3667
pseudo/O.pz-van_ak.UPF
View File

File diff suppressed because it is too large Load Diff

7819
pseudo/Pb.pz-d-van.UPF
View File

File diff suppressed because it is too large Load Diff

10953
pseudo/Pt.rel-pbe-n-rrkjus.UPF
View File

File diff suppressed because it is too large Load Diff

11587
pseudo/Pt.rel-pz-n-rrkjus.UPF
View File

File diff suppressed because it is too large Load Diff

1890
pseudo/Si.pbe-rrkj.UPF
View File

File diff suppressed because it is too large Load Diff

2214
pseudo/Si.pz-rrkj.UPF
View File

File diff suppressed because it is too large Load Diff

895
pseudo/Si.pz-vbc.UPF
View File

@ -1,895 +0,0 @@
<PP_INFO>
Generated using unknown code
Author: Von Barth-Car (<1984)
Info: automatically converted from PWSCF format
0 The Pseudo was generated with a Non-Relativistic Calculation
0.00000000000E+00 Local Potential cutoff radius
nl pn l occ Rcut Rcut US E pseu
3S 0 0 2.00 0.00000000000 0.00000000000 0.00000000000
3P 0 1 2.00 0.00000000000 0.00000000000 0.00000000000
</PP_INFO>
<PP_HEADER>
0 Version Number
Si Element
NC Norm - Conserving pseudopotential
F Nonlinear Core Correction
SLA PZ NOGX NOGC PZ Exchange-Correlation functional
4.00000000000 Z valence
0.00000000000 Total energy
0.0000000 0.0000000 Suggested cutoff for wfc and rho
1 Max angular momentum component
431 Number of points in mesh
2 2 Number of Wavefunctions, Number of Projectors
Wavefunctions nl l occ
3S 0 2.00
3P 1 2.00
</PP_HEADER>
<PP_MESH>
<PP_R>
1.30825992062E-03 1.34137867819E-03 1.37533584110E-03 1.41015263368E-03
1.44585081756E-03 1.48245270526E-03 1.51998117417E-03 1.55845968079E-03
1.59791227544E-03 1.63836361728E-03 1.67983898971E-03 1.72236431620E-03
1.76596617645E-03 1.81067182305E-03 1.85650919848E-03 1.90350695260E-03
1.95169446052E-03 2.00110184102E-03 2.05175997530E-03 2.10370052636E-03
2.15695595874E-03 2.21155955880E-03 2.26754545558E-03 2.32494864208E-03
2.38380499717E-03 2.44415130798E-03 2.50602529292E-03 2.56946562524E-03
2.63451195723E-03 2.70120494495E-03 2.76958627369E-03 2.83969868402E-03
2.91158599845E-03 2.98529314892E-03 3.06086620479E-03 3.13835240167E-03
3.21780017097E-03 3.29925917012E-03 3.38278031365E-03 3.46841580500E-03
3.55621916913E-03 3.64624528601E-03 3.73855042489E-03 3.83319227948E-03
3.93023000403E-03 4.02972425027E-03 4.13173720535E-03 4.23633263067E-03
4.34357590180E-03 4.45353404926E-03 4.56627580048E-03 4.68187162272E-03
4.80039376712E-03 4.92191631390E-03 5.04651521860E-03 5.17426835959E-03
5.30525558674E-03 5.43955877133E-03 5.57726185723E-03 5.71845091334E-03
5.86321418742E-03 6.01164216124E-03 6.16382760710E-03 6.31986564586E-03
6.47985380639E-03 6.64389208648E-03 6.81208301540E-03 6.98453171795E-03
7.16134598020E-03 7.34263631681E-03 7.52851604013E-03 7.71910133106E-03
7.91451131160E-03 8.11486811934E-03 8.32029698382E-03 8.53092630477E-03
8.74688773236E-03 8.96831624951E-03 9.19535025627E-03 9.42813165627E-03
9.66680594547E-03 9.91152230307E-03 1.01624336848E-02 1.04196969183E-02
1.06834728016E-02 1.09539262032E-02 1.12312261653E-02 1.15155460093E-02
1.18070634444E-02 1.21059606785E-02 1.24124245322E-02 1.27266465552E-02
1.30488231466E-02 1.33791556773E-02 1.37178506158E-02 1.40651196574E-02
1.44211798568E-02 1.47862537629E-02 1.51605695591E-02 1.55443612047E-02
1.59378685820E-02 1.63413376461E-02 1.67550205781E-02 1.71791759435E-02
1.76140688530E-02 1.80599711289E-02 1.85171614747E-02 1.89859256492E-02
1.94665566453E-02 1.99593548730E-02 2.04646283472E-02 2.09826928803E-02
2.15138722794E-02 2.20584985491E-02 2.26169120985E-02 2.31894619542E-02
2.37765059784E-02 2.43784110929E-02 2.49955535079E-02 2.56283189576E-02
2.62771029408E-02 2.69423109688E-02 2.76243588182E-02 2.83236727911E-02
2.90406899815E-02 2.97758585485E-02 3.05296379963E-02 3.13024994618E-02
3.20949260084E-02 3.29074129285E-02 3.37404680529E-02 3.45946120682E-02
3.54703788422E-02 3.63683157577E-02 3.72889840544E-02 3.82329591799E-02
3.92008311496E-02 4.01932049148E-02 4.12107007415E-02 4.22539545976E-02
4.33236185509E-02 4.44203611761E-02 4.55448679730E-02 4.66978417950E-02
4.78800032883E-02 4.90920913422E-02 5.03348635513E-02 5.16090966887E-02
5.29155871916E-02 5.42551516589E-02 5.56286273622E-02 5.70368727685E-02
5.84807680770E-02 5.99612157692E-02 6.14791411732E-02 6.30354930418E-02
6.46312441454E-02 6.62673918806E-02 6.79449588929E-02 6.96649937163E-02
7.14285714286E-02 7.32367943232E-02 7.50907925983E-02 7.69917250632E-02
7.89407798625E-02 8.09391752191E-02 8.29881601949E-02 8.50890154723E-02
8.72430541543E-02 8.94516225851E-02 9.17161011920E-02 9.40379053477E-02
9.64184862554E-02 9.88593318558E-02 1.01361967757E-01 1.03927958187E-01
1.06558906974E-01 1.09256458547E-01 1.12022298964E-01 1.14858156963E-01
1.17765805050E-01 1.20747060599E-01 1.23803786991E-01 1.26937894780E-01
1.30151342885E-01 1.33446139817E-01 1.36824344930E-01 1.40288069712E-01
1.43839479105E-01 1.47480792855E-01 1.51214286901E-01 1.55042294799E-01
1.58967209178E-01 1.62991483238E-01 1.67117632280E-01 1.71348235283E-01
1.75685936511E-01 1.80133447168E-01 1.84693547094E-01 1.89369086499E-01
1.94162987747E-01 1.99078247183E-01 2.04117937005E-01 2.09285207181E-01
2.14583287425E-01 2.20015489208E-01 2.25585207835E-01 2.31295924560E-01
2.37151208767E-01 2.43154720199E-01 2.49310211247E-01 2.55621529293E-01
2.62092619116E-01 2.68727525357E-01 2.75530395050E-01 2.82505480209E-01
2.89657140489E-01 2.96989845911E-01 3.04508179655E-01 3.12216840924E-01
3.20120647881E-01 3.28224540665E-01 3.36533584471E-01 3.45052972722E-01
3.53788030314E-01 3.62744216941E-01 3.71927130513E-01 3.81342510648E-01
3.90996242266E-01 4.00894359264E-01 4.11043048286E-01 4.21448652594E-01
4.32117676029E-01 4.43056787079E-01 4.54272823043E-01 4.65772794309E-01
4.77563888734E-01 4.89653476136E-01 5.02049112899E-01 5.14758546701E-01
5.27789721352E-01 5.41150781760E-01 5.54850079022E-01 5.68896175645E-01
5.83297850898E-01 5.98064106295E-01 6.13204171227E-01 6.28727508728E-01
6.44643821388E-01 6.60963057422E-01 6.77695416883E-01 6.94851358040E-01
7.12441603915E-01 7.30477148985E-01 7.48969266052E-01 7.67929513291E-01
7.87369741474E-01 8.07302101377E-01 8.27739051373E-01 8.48693365221E-01
8.70178140050E-01 8.92206804543E-01 9.14793127333E-01 9.37951225606E-01
9.61695573929E-01 9.86041013291E-01 1.01100276038E+00 1.03659641711E+00
1.06283798035E+00 1.08974385192E+00 1.11733084887E+00 1.14561621398E+00
1.17461762651E+00 1.20435321329E+00 1.23484156004E+00 1.26610172296E+00
1.29815324067E+00 1.33101614642E+00 1.36471098059E+00 1.39925880354E+00
1.43468120880E+00 1.47100033651E+00 1.50823888732E+00 1.54642013654E+00
1.58556794867E+00 1.62570679239E+00 1.66686175578E+00 1.70905856203E+00
1.75232358551E+00 1.79668386827E+00 1.84216713694E+00 1.88880182004E+00
1.93661706576E+00 1.98564276019E+00 2.03590954598E+00 2.08744884152E+00
2.14029286053E+00 2.19447463225E+00 2.25002802205E+00 2.30698775262E+00
2.36538942562E+00 2.42526954402E+00 2.48666553483E+00 2.54961577255E+00
2.61415960312E+00 2.68033736854E+00 2.74819043207E+00 2.81776120409E+00
2.88909316858E+00 2.96223091035E+00 3.03722014286E+00 3.11410773684E+00
3.19294174952E+00 3.27377145474E+00 3.35664737368E+00 3.44162130651E+00
3.52874636468E+00 3.61807700420E+00 3.70966905963E+00 3.80357977898E+00
3.89986785951E+00 3.99859348440E+00 4.09981836039E+00 4.20360575631E+00
4.31002054267E+00 4.41912923217E+00 4.53100002129E+00 4.64570283293E+00
4.76330936007E+00 4.88389311061E+00 5.00752945333E+00 5.13429566498E+00
5.26427097854E+00 5.39753663284E+00 5.53417592323E+00 5.67427425373E+00
5.81791919035E+00 5.96520051586E+00 6.11621028587E+00 6.27104288641E+00
6.42979509289E+00 6.59256613062E+00 6.75945773678E+00 6.93057422407E+00
7.10602254585E+00 7.28591236305E+00 7.47035611265E+00 7.65946907800E+00
7.85336946087E+00 8.05217845529E+00 8.25602032337E+00 8.46502247291E+00
8.67931553705E+00 8.89903345594E+00 9.12431356043E+00 9.35529665792E+00
9.59212712035E+00 9.83495297449E+00 1.00839259944E+01 1.03392017963E+01
1.06009399359E+01 1.08693040080E+01 1.11444617490E+01 1.14265851414E+01
1.17158505214E+01 1.20124386894E+01 1.23165350226E+01 1.26283295912E+01
1.29480172768E+01 1.32757978947E+01 1.36118763185E+01 1.39564626080E+01
1.43097721411E+01 1.46720257475E+01 1.50434498476E+01 1.54242765936E+01
1.58147440146E+01 1.62150961654E+01 1.66255832791E+01 1.70464619236E+01
1.74779951617E+01 1.79204527158E+01 1.83741111361E+01 1.88392539741E+01
1.93161719590E+01 1.98051631802E+01 2.03065332731E+01 2.08205956104E+01
2.13476714976E+01 2.18880903745E+01 2.24421900204E+01 2.30103167656E+01
2.35928257078E+01 2.41900809341E+01 2.48024557485E+01 2.54303329051E+01
2.60741048475E+01 2.67341739543E+01 2.74109527901E+01 2.81048643636E+01
2.88163423923E+01 2.95458315731E+01 3.02937878603E+01 3.10606787512E+01
3.18469835773E+01 3.26531938049E+01 3.34798133416E+01 3.43273588515E+01
3.51963600781E+01 3.60873601755E+01 3.70009160477E+01 3.79375986970E+01
3.88979935804E+01 3.98827009761E+01 4.08923363581E+01 4.19275307816E+01
4.29889312766E+01 4.40772012531E+01 4.51930209152E+01 4.63370876865E+01
4.75101166460E+01 4.87128409750E+01 4.99460124154E+01 5.12104017394E+01
5.25067992316E+01 5.38360151825E+01 5.51988803954E+01 5.65962467054E+01
5.80289875120E+01 5.94979983247E+01 6.10041973233E+01
</PP_R>
<PP_RAB>
3.27064980156E-05 3.35344669548E-05 3.43833960275E-05 3.52538158420E-05
3.61462704389E-05 3.70613176316E-05 3.79995293542E-05 3.89614920197E-05
3.99478068860E-05 4.09590904320E-05 4.19959747429E-05 4.30591079050E-05
4.41491544113E-05 4.52667955763E-05 4.64127299621E-05 4.75876738149E-05
4.87923615130E-05 5.00275460254E-05 5.12939993826E-05 5.25925131591E-05
5.39238989684E-05 5.52889889700E-05 5.66886363894E-05 5.81237160520E-05
5.95951249292E-05 6.11037826994E-05 6.26506323229E-05 6.42366406311E-05
6.58627989308E-05 6.75301236238E-05 6.92396568424E-05 7.09924671004E-05
7.27896499614E-05 7.46323287231E-05 7.65216551197E-05 7.84588100418E-05
8.04450042742E-05 8.24814792530E-05 8.45695078413E-05 8.67103951250E-05
8.89054792283E-05 9.11561321503E-05 9.34637606222E-05 9.58298069870E-05
9.82557501007E-05 1.00743106257E-04 1.03293430134E-04 1.05908315767E-04
1.08589397545E-04 1.11338351232E-04 1.14156895012E-04 1.17046790568E-04
1.20009844178E-04 1.23047907848E-04 1.26162880465E-04 1.29356708990E-04
1.32631389668E-04 1.35988969283E-04 1.39431546431E-04 1.42961272833E-04
1.46580354686E-04 1.50291054031E-04 1.54095690177E-04 1.57996641147E-04
1.61996345160E-04 1.66097302162E-04 1.70302075385E-04 1.74613292949E-04
1.79033649505E-04 1.83565907920E-04 1.88212901003E-04 1.92977533276E-04
1.97862782790E-04 2.02871702984E-04 2.08007424596E-04 2.13273157619E-04
2.18672193309E-04 2.24207906238E-04 2.29883756407E-04 2.35703291407E-04
2.41670148637E-04 2.47788057577E-04 2.54060842119E-04 2.60492422958E-04
2.67086820040E-04 2.73848155080E-04 2.80780654131E-04 2.87888650232E-04
2.95176586110E-04 3.02649016963E-04 3.10310613304E-04 3.18166163880E-04
3.26220578666E-04 3.34478891932E-04 3.42946265394E-04 3.51627991436E-04
3.60529496419E-04 3.69656344073E-04 3.79014238976E-04 3.88609030116E-04
3.98446714551E-04 4.08533441152E-04 4.18875514453E-04 4.29479398586E-04
4.40351721324E-04 4.51499278223E-04 4.62929036868E-04 4.74648141230E-04
4.86663916132E-04 4.98983871824E-04 5.11615708679E-04 5.24567322006E-04
5.37846806986E-04 5.51462463729E-04 5.65422802463E-04 5.79736548854E-04
5.94412649461E-04 6.09460277323E-04 6.24888837698E-04 6.40707973939E-04
6.56927573520E-04 6.73557774220E-04 6.90608970454E-04 7.08091819777E-04
7.26017249537E-04 7.44396463712E-04 7.63240949908E-04 7.82562486545E-04
8.02373150209E-04 8.22685323212E-04 8.43511701323E-04 8.64865301706E-04
8.86759471056E-04 9.09207893942E-04 9.32224601359E-04 9.55823979498E-04
9.80020778739E-04 1.00483012287E-03 1.03026751854E-03 1.05634886494E-03
1.08309046377E-03 1.11050902940E-03 1.13862169932E-03 1.16744604487E-03
1.19700008221E-03 1.22730228356E-03 1.25837158878E-03 1.29022741722E-03
1.32288967979E-03 1.35637879147E-03 1.39071568406E-03 1.42592181921E-03
1.46201920192E-03 1.49903039423E-03 1.53697852933E-03 1.57588732604E-03
1.61578110364E-03 1.65668479702E-03 1.69862397232E-03 1.74162484291E-03
1.78571428571E-03 1.83091985808E-03 1.87726981496E-03 1.92479312658E-03
1.97351949656E-03 2.02347938048E-03 2.07470400487E-03 2.12722538681E-03
2.18107635386E-03 2.23629056463E-03 2.29290252980E-03 2.35094763369E-03
2.41046215639E-03 2.47148329639E-03 2.53404919392E-03 2.59819895468E-03
2.66397267436E-03 2.73141146368E-03 2.80055747409E-03 2.87145392408E-03
2.94414512625E-03 3.01867651496E-03 3.09509467476E-03 3.17344736949E-03
3.25378357213E-03 3.33615349541E-03 3.42060862324E-03 3.50720174280E-03
3.59598697763E-03 3.68701982137E-03 3.78035717252E-03 3.87605736997E-03
3.97418022945E-03 4.07478708095E-03 4.17794080701E-03 4.28370588208E-03
4.39214841278E-03 4.50333617921E-03 4.61733867735E-03 4.73422716247E-03
4.85407469368E-03 4.97695617958E-03 5.10294842511E-03 5.23213017952E-03
5.36458218562E-03 5.50038723021E-03 5.63963019587E-03 5.78239811400E-03
5.92878021917E-03 6.07886800498E-03 6.23275528118E-03 6.39053823232E-03
6.55231547789E-03 6.71818813393E-03 6.88825987624E-03 7.06263700522E-03
7.24142851222E-03 7.42474614778E-03 7.61270449137E-03 7.80542102309E-03
8.00301619703E-03 8.20561351662E-03 8.41333961177E-03 8.62632431805E-03
8.84470075785E-03 9.06860542354E-03 9.29817826282E-03 9.53356276620E-03
9.77490605666E-03 1.00223589816E-02 1.02760762072E-02 1.05362163149E-02
1.08029419007E-02 1.10764196770E-02 1.13568205761E-02 1.16443198577E-02
1.19390972184E-02 1.22413369034E-02 1.25512278225E-02 1.28689636675E-02
1.31947430338E-02 1.35287695440E-02 1.38712519755E-02 1.42224043911E-02
1.45824462724E-02 1.49516026574E-02 1.53301042807E-02 1.57181877182E-02
1.61160955347E-02 1.65240764355E-02 1.69423854221E-02 1.73712839510E-02
1.78110400979E-02 1.82619287246E-02 1.87242316513E-02 1.91982378323E-02
1.96842435369E-02 2.01825525344E-02 2.06934762843E-02 2.12173341305E-02
2.17544535013E-02 2.23051701136E-02 2.28698281833E-02 2.34487806402E-02
2.40423893482E-02 2.46510253323E-02 2.52750690096E-02 2.59149104278E-02
2.65709495087E-02 2.72435962980E-02 2.79332712218E-02 2.86404053494E-02
2.93654406627E-02 3.01088303323E-02 3.08710390010E-02 3.16525430740E-02
3.24538310169E-02 3.32754036605E-02 3.41177745147E-02 3.49814700886E-02
3.58670302200E-02 3.67750084129E-02 3.77059721831E-02 3.86605034134E-02
3.96391987169E-02 4.06426698099E-02 4.16715438945E-02 4.27264640507E-02
4.38080896377E-02 4.49170967068E-02 4.60541784236E-02 4.72200455010E-02
4.84154266440E-02 4.96410690048E-02 5.08977386496E-02 5.21862210379E-02
5.35073215132E-02 5.48618658063E-02 5.62507005513E-02 5.76746938154E-02
5.91347356405E-02 6.06317386004E-02 6.21666383707E-02 6.37403943137E-02
6.53539900780E-02 6.70084342136E-02 6.87047608018E-02 7.04440301021E-02
7.22273292144E-02 7.40557727586E-02 7.59305035715E-02 7.78526934209E-02
7.98235437380E-02 8.18442863685E-02 8.39161843421E-02 8.60405326627E-02
8.82186591170E-02 9.04519251051E-02 9.27417264908E-02 9.50894944745E-02
9.74966964878E-02 9.99648371101E-02 1.02495459010E-01 1.05090143908E-01
1.07750513567E-01 1.10478230804E-01 1.13275000532E-01 1.16142570823E-01
1.19082734002E-01 1.22097327765E-01 1.25188236333E-01 1.28357391624E-01
1.31606774464E-01 1.34938415821E-01 1.38354398081E-01 1.41856856343E-01
1.45447979759E-01 1.49130012897E-01 1.52905257147E-01 1.56776072160E-01
1.60744877322E-01 1.64814153265E-01 1.68986443420E-01 1.73264355602E-01
1.77650563646E-01 1.82147809076E-01 1.86758902816E-01 1.91486726950E-01
1.96334236522E-01 2.01304461382E-01 2.06400508084E-01 2.11625561823E-01
2.16982888426E-01 2.22475836399E-01 2.28107839011E-01 2.33882416448E-01
2.39803178009E-01 2.45873824362E-01 2.52098149860E-01 2.58480044907E-01
2.65023498397E-01 2.71732600201E-01 2.78611543726E-01 2.85664628535E-01
2.92896263036E-01 3.00310967235E-01 3.07913375566E-01 3.15708239779E-01
3.23700431920E-01 3.31894947368E-01 3.40296907962E-01 3.48911565201E-01
3.57744303526E-01 3.66800643687E-01 3.76086246190E-01 3.85606914840E-01
3.95368600365E-01 4.05377404134E-01 4.15639581978E-01 4.26161548090E-01
4.36949879043E-01 4.48011317894E-01 4.59352778403E-01 4.70981349352E-01
4.82904298975E-01 4.95129079506E-01 5.07663331828E-01 5.20514890260E-01
5.33691787441E-01 5.47202259363E-01 5.61054750510E-01 5.75257919140E-01
5.89820642696E-01 6.04752023353E-01 6.20061393712E-01 6.35758322626E-01
6.51852621188E-01 6.68354348858E-01 6.85273819752E-01 7.02621609091E-01
7.20408559808E-01 7.38645789327E-01 7.57344696509E-01 7.76516968779E-01
7.96174589433E-01 8.16329845123E-01 8.36995333540E-01 8.58183971287E-01
8.79909001952E-01 9.02184004387E-01 9.25022901193E-01 9.48439967425E-01
9.72449839511E-01 9.97067524402E-01 1.02230840895E+00 1.04818826954E+00
1.07472328191E+00 1.10193003133E+00 1.12982552288E+00 1.15842719216E+00
1.18775291615E+00 1.21782102438E+00 1.24865031039E+00 1.28026004349E+00
1.31266998079E+00 1.34590037956E+00 1.37997200988E+00 1.41490616763E+00
1.45072468780E+00 1.48744995812E+00 1.52510493308E+00
</PP_RAB>
</PP_MESH>
<PP_LOCAL>
-1.85087419695E+01 -1.85087406352E+01 -1.85087392325E+01 -1.85087377579E+01
-1.85087362077E+01 -1.85087345780E+01 -1.85087328648E+01 -1.85087310637E+01
-1.85087291703E+01 -1.85087271798E+01 -1.85087250872E+01 -1.85087228874E+01
-1.85087205747E+01 -1.85087181435E+01 -1.85087155877E+01 -1.85087129008E+01
-1.85087100761E+01 -1.85087071066E+01 -1.85087039849E+01 -1.85087007031E+01
-1.85086972531E+01 -1.85086936261E+01 -1.85086898133E+01 -1.85086858049E+01
-1.85086815910E+01 -1.85086771611E+01 -1.85086725040E+01 -1.85086676082E+01
-1.85086624613E+01 -1.85086570506E+01 -1.85086513625E+01 -1.85086453827E+01
-1.85086390963E+01 -1.85086324877E+01 -1.85086255402E+01 -1.85086182365E+01
-1.85086105583E+01 -1.85086024865E+01 -1.85085940008E+01 -1.85085850801E+01
-1.85085757020E+01 -1.85085658430E+01 -1.85085554787E+01 -1.85085445829E+01
-1.85085331285E+01 -1.85085210868E+01 -1.85085084277E+01 -1.85084951196E+01
-1.85084811292E+01 -1.85084664216E+01 -1.85084509598E+01 -1.85084347054E+01
-1.85084176175E+01 -1.85083996536E+01 -1.85083807687E+01 -1.85083609155E+01
-1.85083400445E+01 -1.85083181035E+01 -1.85082950375E+01 -1.85082707890E+01
-1.85082452972E+01 -1.85082184986E+01 -1.85081903259E+01 -1.85081607089E+01
-1.85081295735E+01 -1.85080968418E+01 -1.85080624320E+01 -1.85080262581E+01
-1.85079882296E+01 -1.85079482514E+01 -1.85079062236E+01 -1.85078620412E+01
-1.85078155936E+01 -1.85077667648E+01 -1.85077154327E+01 -1.85076614689E+01
-1.85076047386E+01 -1.85075450998E+01 -1.85074824037E+01 -1.85074164933E+01
-1.85073472039E+01 -1.85072743624E+01 -1.85071977867E+01 -1.85071172853E+01
-1.85070326569E+01 -1.85069436902E+01 -1.85068501627E+01 -1.85067518405E+01
-1.85066484781E+01 -1.85065398170E+01 -1.85064255856E+01 -1.85063054984E+01
-1.85061792554E+01 -1.85060465410E+01 -1.85059070236E+01 -1.85057603545E+01
-1.85056061672E+01 -1.85054440764E+01 -1.85052736770E+01 -1.85050945434E+01
-1.85049062278E+01 -1.85047082599E+01 -1.85045001450E+01 -1.85042813632E+01
-1.85040513680E+01 -1.85038095848E+01 -1.85035554096E+01 -1.85032882077E+01
-1.85030073115E+01 -1.85027120197E+01 -1.85024015947E+01 -1.85020752615E+01
-1.85017322050E+01 -1.85013715689E+01 -1.85009924526E+01 -1.85005939099E+01
-1.85001749459E+01 -1.84997345147E+01 -1.84992715174E+01 -1.84987847983E+01
-1.84982731431E+01 -1.84977352752E+01 -1.84971698528E+01 -1.84965754655E+01
-1.84959506308E+01 -1.84952937907E+01 -1.84946033073E+01 -1.84938774592E+01
-1.84931144372E+01 -1.84923123396E+01 -1.84914691678E+01 -1.84905828212E+01
-1.84896510918E+01 -1.84886716595E+01 -1.84876420854E+01 -1.84865598066E+01
-1.84854221296E+01 -1.84842262237E+01 -1.84829691141E+01 -1.84816476744E+01
-1.84802586193E+01 -1.84787984965E+01 -1.84772636782E+01 -1.84756503519E+01
-1.84739545119E+01 -1.84721719490E+01 -1.84702982403E+01 -1.84683287389E+01
-1.84662585620E+01 -1.84640825798E+01 -1.84617954027E+01 -1.84593913685E+01
-1.84568645286E+01 -1.84542086342E+01 -1.84514171209E+01 -1.84484830932E+01
-1.84453993082E+01 -1.84421581584E+01 -1.84387516536E+01 -1.84351714021E+01
-1.84314085909E+01 -1.84274539654E+01 -1.84232978073E+01 -1.84189299122E+01
-1.84143395660E+01 -1.84095155201E+01 -1.84044459657E+01 -1.83991185065E+01
-1.83935201306E+01 -1.83876371811E+01 -1.83814553253E+01 -1.83749595225E+01
-1.83681339905E+01 -1.83609621708E+01 -1.83534266922E+01 -1.83455093325E+01
-1.83371909797E+01 -1.83284515904E+01 -1.83192701472E+01 -1.83096246146E+01
-1.82994918925E+01 -1.82888477688E+01 -1.82776668694E+01 -1.82659226072E+01
-1.82535871290E+01 -1.82406312601E+01 -1.82270244480E+01 -1.82127347037E+01
-1.81977285411E+01 -1.81819709155E+01 -1.81654251593E+01 -1.81480529171E+01
-1.81298140781E+01 -1.81106667082E+01 -1.80905669798E+01 -1.80694691012E+01
-1.80473252440E+01 -1.80240854707E+01 -1.79996976605E+01 -1.79741074362E+01
-1.79472580893E+01 -1.79190905069E+01 -1.78895430985E+01 -1.78585517239E+01
-1.78260496232E+01 -1.77919673484E+01 -1.77562326981E+01 -1.77187706563E+01
-1.76795033340E+01 -1.76383499182E+01 -1.75952266247E+01 -1.75500466602E+01
-1.75027201914E+01 -1.74531543249E+01 -1.74012530971E+01 -1.73469174780E+01
-1.72900453884E+01 -1.72305317344E+01 -1.71682684587E+01 -1.71031446134E+01
-1.70350464552E+01 -1.69638575656E+01 -1.68894589986E+01 -1.68117294596E+01
-1.67305455172E+01 -1.66457818523E+01 -1.65573115468E+01 -1.64650064157E+01
-1.63687373859E+01 -1.62683749266E+01 -1.61637895326E+01 -1.60548522669E+01
-1.59414353643E+01 -1.58234129011E+01 -1.57006615333E+01 -1.55730613079E+01
-1.54404965492E+01 -1.53028568235E+01 -1.51600379842E+01 -1.50119432985E+01
-1.48584846573E+01 -1.46995838672E+01 -1.45351740231E+01 -1.43652009602E+01
-1.41896247794E+01 -1.40084214407E+01 -1.38215844172E+01 -1.36291263982E+01
-1.34310810294E+01 -1.32275046736E+01 -1.30184781748E+01 -1.28041086009E+01
-1.25845309428E+01 -1.23599097382E+01 -1.21304405887E+01 -1.18963515325E+01
-1.16579042342E+01 -1.14153949465E+01 -1.11691551970E+01 -1.09195521524E+01
-1.06669886077E+01 -1.04119025475E+01 -1.01547662298E+01 -9.89608474036E+00
-9.63639397058E+00 -9.37625797899E+00 -9.11626570059E+00 -8.85702698106E+00
-8.59916792380E+00 -8.34332555400E+00 -8.09014182138E+00 -7.84025698450E+00
-7.59430244220E+00 -7.35289310330E+00 -7.11661941193E+00 -6.88603917288E+00
-6.66166934816E+00 -6.44397802023E+00 -6.23337673901E+00 -6.03021348602E+00
-5.83476649871E+00 -5.64723919894E+00 -5.46775646085E+00 -5.29636243234E+00
-5.13302009126E+00 -4.97761267135E+00 -4.82994703371E+00 -4.68975898952E+00
-4.55672050045E+00 -4.43044859764E+00 -4.31051577430E+00 -4.19646152370E+00
-4.08780462219E+00 -3.98405569953E+00 -3.88472960398E+00 -3.78935706081E+00
-3.69749514438E+00 -3.60873613682E+00 -3.52271442888E+00 -3.43911122760E+00
-3.35765696297E+00 -3.27813142365E+00 -3.20036178802E+00 -3.12421884008E+00
-3.04961175950E+00 -2.97648194079E+00 -2.90479632434E+00 -2.83454070769E+00
-2.76571345426E+00 -2.69831993280E+00 -2.63236791770E+00 -2.56786406737E+00
-2.50481149052E+00 -2.44320831743E+00 -2.38304712540E+00 -2.32431502680E+00
-2.26699421607E+00 -2.21106278391E+00 -2.15649563655E+00 -2.10326539769E+00
-2.05134321279E+00 -2.00069941363E+00 -1.95130403217E+00 -1.90312717332E+00
-1.85613926883E+00 -1.81031123867E+00 -1.76561458530E+00 -1.72202144257E+00
-1.67950459582E+00 -1.63803748477E+00 -1.59759419695E+00 -1.55814945627E+00
-1.51967860930E+00 -1.48215761079E+00 -1.44556300901E+00 -1.40987193115E+00
-1.37506206914E+00 -1.34111166569E+00 -1.30799950068E+00 -1.27570487795E+00
-1.24420761228E+00 -1.21348801688E+00 -1.18352689099E+00 -1.15430550794E+00
-1.12580560340E+00 -1.09800936401E+00 -1.07089941622E+00 -1.04445881543E+00
-1.01867103539E+00 -9.93519957912E-01 -9.68989862750E-01 -9.45065417795E-01
-9.21731669490E-01 -8.98974033484E-01 -8.76778285513E-01 -8.55130552512E-01
-8.34017303944E-01 -8.13425343339E-01 -7.93341800054E-01 -7.73754121219E-01
-7.54650063898E-01 -7.36017687432E-01 -7.17845345981E-01 -7.00121681238E-01
-6.82835615338E-01 -6.65976343925E-01 -6.49533329406E-01 -6.33496294363E-01
-6.17855215125E-01 -6.02600315510E-01 -5.87722060708E-01 -5.73211151327E-01
-5.59058517574E-01 -5.45255313594E-01 -5.31792911934E-01 -5.18662898156E-01
-5.05857065573E-01 -4.93367410123E-01 -4.81186125364E-01 -4.69305597598E-01
-4.57718401108E-01 -4.46417293518E-01 -4.35395211269E-01 -4.24645265201E-01
-4.14160736246E-01 -4.03935071234E-01 -3.93961878790E-01 -3.84234925345E-01
-3.74748131237E-01 -3.65495566909E-01 -3.56471449209E-01 -3.47670137769E-01
-3.39086131482E-01 -3.30714065066E-01 -3.22548705706E-01 -3.14584949787E-01
-3.06817819702E-01 -2.99242460742E-01 -2.91854138062E-01 -2.84648233718E-01
-2.77620243787E-01 -2.70765775545E-01 -2.64080544727E-01 -2.57560372846E-01
-2.51201184582E-01 -2.44999005236E-01 -2.38949958244E-01 -2.33050262754E-01
-2.27296231265E-01 -2.21684267320E-01 -2.16210863258E-01 -2.10872598023E-01
-2.05666135027E-01 -2.00588220061E-01 -1.95635679261E-01 -1.90805417130E-01
-1.86094414595E-01 -1.81499727128E-01 -1.77018482898E-01 -1.72647880983E-01
-1.68385189613E-01 -1.64227744469E-01 -1.60172947010E-01 -1.56218262858E-01
-1.52361220205E-01 -1.48599408275E-01 -1.44930475812E-01 -1.41352129615E-01
-1.37862133099E-01 -1.34458304905E-01 -1.31138517529E-01
</PP_LOCAL>
<PP_NONLOCAL>
<PP_BETA>
1 0 Beta L
359
5.62466109801E-03 5.76705055555E-03 5.91304456932E-03 6.06273472856E-03
6.21621414849E-03 6.37357899691E-03 6.53492757816E-03 6.70036063836E-03
6.86998197605E-03 7.04389722080E-03 7.22221535975E-03 7.40504751623E-03
7.59250847636E-03 7.78471485692E-03 7.98178693728E-03 8.18384835393E-03
8.39102487909E-03 8.60344625251E-03 8.82124526539E-03 9.04455806558E-03
9.27352415737E-03 9.50828670672E-03 9.74899223570E-03 9.99579153833E-03
1.02488390697E-02 1.05082926403E-02 1.07743143322E-02 1.10470708034E-02
1.13267323722E-02 1.16134736274E-02 1.19074743437E-02 1.22089182604E-02
1.25179933861E-02 1.28348929144E-02 1.31598155288E-02 1.34929638754E-02
1.38345467001E-02 1.41847770157E-02 1.45438739334E-02 1.49120620517E-02
1.52895717606E-02 1.56766386309E-02 1.60735049392E-02 1.64804187520E-02
1.68976345344E-02 1.73254131502E-02 1.77640218601E-02 1.82137352365E-02
1.86748345522E-02 1.91476077786E-02 1.96323505002E-02 2.01293662189E-02
2.06389651302E-02 2.11614668702E-02 2.16971971546E-02 2.22464917456E-02
2.28096940077E-02 2.33871558210E-02 2.39792387995E-02 2.45863130674E-02
2.52087584774E-02 2.58469643017E-02 2.65013295342E-02 2.71722638025E-02
2.78601867530E-02 2.85655286576E-02 2.92887310190E-02 3.00302462605E-02
3.07905389420E-02 3.15700820898E-02 3.23693687921E-02 3.31888923477E-02
3.40291703766E-02 3.48907295476E-02 3.57741055693E-02 3.66798553928E-02
3.76085419371E-02 3.85607493423E-02 3.95370737997E-02 4.05381235391E-02
4.15645310264E-02 4.26169346324E-02 4.36959938807E-02 4.48023863781E-02
4.59368077958E-02 4.70999626923E-02 4.82925828077E-02 4.95154178827E-02
5.07692325813E-02 5.20548125696E-02 5.33729614341E-02 5.47245128606E-02
5.61103092339E-02 5.75312229684E-02 5.89881412076E-02 6.04819840960E-02
6.20136833681E-02 6.35842067173E-02 6.51945363782E-02 6.68456843311E-02
6.85386922402E-02 7.02746191803E-02 7.20545568256E-02 7.38796293727E-02
7.57509782001E-02 7.76697861919E-02 7.96372593328E-02 8.16546357594E-02
8.37231886999E-02 8.58442202515E-02 8.80190673532E-02 9.02491016460E-02
9.25357323737E-02 9.48804001178E-02 9.72845918769E-02 9.97498195228E-02
1.02277647052E-01 1.04869672064E-01 1.07527537722E-01 1.10252923353E-01
1.13047562466E-01 1.15913224158E-01 1.18851731094E-01 1.21864946959E-01
1.24954791330E-01 1.28123227085E-01 1.31372278253E-01 1.34704011258E-01
1.38120552704E-01 1.41624091877E-01 1.45216861868E-01 1.48901172464E-01
1.52679375940E-01 1.56553905935E-01 1.60527252272E-01 1.64601966201E-01
1.68780683828E-01 1.73066094659E-01 1.77460977061E-01 1.81968172732E-01
1.86590606750E-01 1.91331286211E-01 1.96193298753E-01 2.01179814016E-01
2.06294097133E-01 2.11539494708E-01 2.16919457148E-01 2.22437524331E-01
2.28097335431E-01 2.33902638552E-01 2.39857287991E-01 2.45965238254E-01
2.52230571241E-01 2.58657477607E-01 2.65250274289E-01 2.72013397438E-01
2.78951422328E-01 2.86069055597E-01 2.93371139252E-01 3.00862666347E-01
3.08548765936E-01 3.16434775277E-01 3.24526090642E-01 3.32828356385E-01
3.41347381053E-01 3.50089128521E-01 3.59059768769E-01 3.68265637253E-01
3.77713314060E-01 3.87409551311E-01 3.97361290071E-01 4.07575796334E-01
4.18060434764E-01 4.28822922335E-01 4.39871189519E-01 4.51213390406E-01
4.62858000834E-01 4.74813764659E-01 4.87089668155E-01 4.99695091363E-01
5.12639628296E-01 5.25933262823E-01 5.39586302672E-01 5.53609399804E-01
5.68013537551E-01 5.82810102875E-01 5.98010894767E-01 6.13628010107E-01
6.29674078921E-01 6.46162080475E-01 6.63105419297E-01 6.80517935326E-01
6.98414023571E-01 7.16808365698E-01 7.35716295867E-01 7.55153514338E-01
7.75136199529E-01 7.95681049339E-01 8.16805222984E-01 8.38526384581E-01
8.60862645067E-01 8.83832545413E-01 9.07455135237E-01 9.31749775238E-01
9.56736315641E-01 9.82434881745E-01 1.00886586083E+00 1.03604994313E+00
1.06400793560E+00 1.09276068243E+00 1.12232905792E+00 1.15273367149E+00
1.18399485913E+00 1.21613254242E+00 1.24916582175E+00 1.28311297284E+00
1.31799105927E+00 1.35381566890E+00 1.39060060601E+00 1.42835735455E+00
1.46709485250E+00 1.50681876944E+00 1.54753113374E+00 1.58922956197E+00
1.63190664683E+00 1.67554912182E+00 1.72013702621E+00 1.76564272181E+00
1.81202986062E+00 1.85925230289E+00 1.90725273817E+00 1.95596150586E+00
2.00529507253E+00 2.05515448975E+00 2.10542389119E+00 2.15596877433E+00
2.20663399989E+00 2.25724254477E+00 2.30759374727E+00 2.35746064495E+00
2.40658953756E+00 2.45469776150E+00 2.50147308960E+00 2.54657172084E+00
2.58961863654E+00 2.63020719501E+00 2.66789960959E+00 2.70222797865E+00
2.73269681683E+00 2.75878585917E+00 2.77995429329E+00 2.79564665039E+00
2.80529928005E+00 2.80834892053E+00 2.80424292775E+00 2.79245027025E+00
2.77247498567E+00 2.74387020380E+00 2.70625408743E+00 2.65932594670E+00
2.60288313012E+00 2.53683785201E+00 2.46123288917E+00 2.37625618270E+00
2.28225267083E+00 2.17973326541E+00 2.06937918338E+00 1.95204168159E+00
1.82873597414E+00 1.70062889093E+00 1.56901986123E+00 1.43531555864E+00
1.30099842766E+00 1.16758992283E+00 1.03660963539E+00 9.09532269730E-01
7.87743827421E-01 6.72499754486E-01 5.64886853880E-01 4.65791272651E-01
3.75874375649E-01 2.95558054602E-01 2.25020220603E-01 1.64200872170E-01
1.12818183205E-01 7.03935438731E-02 3.62838054778E-02 9.71859914461E-03
-1.01596826759E-02 -2.42557170029E-02 -3.34831942880E-02 -3.87308570216E-02
-4.08341291734E-02 -4.05532867703E-02 -3.85585430862E-02 -3.54218643504E-02
-3.16149074379E-02 -2.75121109389E-02 -2.33977895055E-02 -1.94760182707E-02
-1.58821358571E-02 -1.26948553533E-02 -9.94815030067E-03 -7.64231235677E-03
-5.75377919295E-03 -4.24351808043E-03 -3.06389201853E-03 -2.16404384715E-03
-1.49390358554E-03 -1.00696876226E-03 -6.62031682503E-04 -4.24040096065E-04
-2.64279420765E-04 -1.60059022273E-04 -9.40719583813E-05 -5.35769172654E-05
-2.95242244152E-05 -1.57173394552E-05 -8.06985015261E-06 -3.98925550779E-06
-1.89530073037E-06 -8.63789139864E-07 -3.76899081841E-07 -1.57120455383E-07
-6.24436882749E-08 -2.36049321747E-08 -8.46710422579E-09 -2.87468900803E-09
-9.21339397026E-10 -2.77977947487E-10 -7.87206800148E-11 -2.08600165176E-11
-5.15559237906E-12 -1.18438348222E-12 -2.52004313516E-13 -4.94658567294E-14
-8.92182395518E-15 -1.46911323107E-15 -2.24067217669E-16 -3.42384076646E-17
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
</PP_BETA>
<PP_BETA>
2 1 Beta L
359
8.85855592715E-06 9.31274280176E-06 9.79021610007E-06 1.02921699527E-05
1.08198594009E-05 1.13746040450E-05 1.19577907406E-05 1.25708778813E-05
1.32153984123E-05 1.38929641127E-05 1.46052690854E-05 1.53540945150E-05
1.61413134262E-05 1.69688913180E-05 1.78389015496E-05 1.87535172499E-05
1.97150273380E-05 2.07258317635E-05 2.17884637137E-05 2.29055753356E-05
2.40799615291E-05 2.53145599458E-05 2.66124573325E-05 2.79768974611E-05
2.94112938169E-05 3.09192327695E-05 3.25044830880E-05 3.41710086290E-05
3.59229794378E-05 3.77647717455E-05 3.97009949328E-05 4.17364883534E-05
4.38763403654E-05 4.61259026040E-05 4.84908010798E-05 5.09769456920E-05
5.35905556020E-05 5.63381655728E-05 5.92266434104E-05 6.22632121636E-05
6.54554643921E-05 6.88113811917E-05 7.23393528052E-05 7.60482024045E-05
7.99472019407E-05 8.40460975093E-05 8.83551410599E-05 9.28851030689E-05
9.76473105897E-05 1.02653671026E-04 1.07916697487E-04 1.13449553178E-04
1.19266065646E-04 1.25380782268E-04 1.31808984491E-04 1.38566748071E-04
1.45670965236E-04 1.53139395400E-04 1.60990712696E-04 1.69244534472E-04
1.77921516397E-04 1.87043334947E-04 1.96632792011E-04 2.06713862398E-04
2.17311741322E-04 2.28452939473E-04 2.40165282898E-04 2.52478071492E-04
2.65422047135E-04 2.79029599735E-04 2.93334735334E-04 3.08373202808E-04
3.24182588825E-04 3.40802396922E-04 3.58274189997E-04 3.76641605885E-04
3.95950579101E-04 4.16249324632E-04 4.37588607191E-04 4.60021740787E-04
4.83604778592E-04 5.08396655165E-04 5.34459312767E-04 5.61857875187E-04
5.90660789793E-04 6.20940032936E-04 6.52771235979E-04 6.86233938109E-04
7.21411712173E-04 7.58392449000E-04 7.97268498857E-04 8.38136971372E-04
8.81099940141E-04 9.26264694752E-04 9.73744024341E-04 1.02365648509E-03
1.07612669919E-03 1.13128566948E-03 1.18927109372E-03 1.25022774206E-03
1.31430773901E-03 1.38167101946E-03 1.45248570501E-03 1.52692851156E-03
1.60518517226E-03 1.68745092333E-03 1.77393081483E-03 1.86484089289E-03
1.96040758940E-03 2.06086929903E-03 2.16647652831E-03 2.27749236079E-03
2.39419371386E-03 2.51687132593E-03 2.64583069361E-03 2.78139316572E-03
2.92389656018E-03 3.07369546204E-03 3.23116294605E-03 3.39669087042E-03
3.57069111912E-03 3.75359668297E-03 3.94586226219E-03 4.14796597504E-03
4.36041042874E-03 4.58372315260E-03 4.81845908654E-03 5.06520116313E-03
5.32456183492E-03 5.59718475396E-03 5.88374612794E-03 6.18495638554E-03
6.50156215047E-03 6.83434757291E-03 7.18413691777E-03 7.55179555852E-03
7.93823301715E-03 8.34440456563E-03 8.77131376240E-03 9.22001449752E-03
9.69161412752E-03 1.01872754823E-02 1.07082196410E-02 1.12557294750E-02
1.18311517390E-02 1.24359010310E-02 1.30714622961E-02 1.37393951907E-02
1.44413366679E-02 1.51790057308E-02 1.59542057672E-02 1.67688337799E-02
1.76248737627E-02 1.85244135440E-02 1.94696421302E-02 2.04628567613E-02
2.15064698732E-02 2.26030064997E-02 2.37551220708E-02 2.49655964337E-02
2.62373498167E-02 2.75734397327E-02 2.89770750562E-02 3.04516173193E-02
3.20005912617E-02 3.36276920124E-02 3.53367888914E-02 3.71319352415E-02
3.90173795351E-02 4.09975698784E-02 4.30771597421E-02 4.52610258528E-02
4.75542668325E-02 4.99622201853E-02 5.24904693535E-02 5.51448470856E-02
5.79314600670E-02 6.08566800218E-02 6.39271715604E-02 6.71498910607E-02
7.05321002466E-02 7.40813771782E-02 7.78056261195E-02 8.17130908329E-02
8.58123572038E-02 9.01123714536E-02 9.46224442956E-02 9.93522656855E-02
1.04311908307E-01 1.09511836636E-01 1.14962921303E-01 1.20676432378E-01
1.26664062095E-01 1.32937915217E-01 1.39510517487E-01 1.46394818740E-01
1.53604188847E-01 1.61152422850E-01 1.69053713852E-01 1.77322687259E-01
1.85974327668E-01 1.95024042984E-01 2.04487540599E-01 2.14380951606E-01
2.24720616685E-01 2.35523222541E-01 2.46805659219E-01 2.58585001499E-01
2.70878463642E-01 2.83703297711E-01 2.97076766853E-01 3.11016030646E-01
3.25538059091E-01 3.40659486768E-01 3.56396578980E-01 3.72764963223E-01
3.89779613145E-01 4.07454553844E-01 4.25802744259E-01 4.44835850030E-01
4.64563991982E-01 4.84995483034E-01 5.06136579151E-01 5.27991106862E-01
5.50560198858E-01 5.73841891562E-01 5.97830708857E-01 6.22517244622E-01
6.47887743105E-01 6.73923536679E-01 7.00600590082E-01 7.27888895783E-01
7.55751942348E-01 7.84146083523E-01 8.13019904628E-01 8.42313581396E-01
8.71958252165E-01 9.01875333327E-01 9.31975865487E-01 9.62159905026E-01
9.92315923669E-01 1.02232025225E+00 1.05203662645E+00 1.08131564660E+00
1.10999492296E+00 1.13789834810E+00 1.16483671120E+00 1.19060765520E+00
1.21499601331E+00 1.23777533195E+00 1.25870793699E+00 1.27754751271E+00
1.29404003869E+00 1.30792681123E+00 1.31894689524E+00 1.32684066785E+00
1.33135325746E+00 1.33223938356E+00 1.32926787274E+00 1.32222691102E+00
1.31093011532E+00 1.29522225322E+00 1.27498548862E+00 1.25014598364E+00
1.22067976449E+00 1.18661877941E+00 1.14805612306E+00 1.10515058417E+00
1.05812978718E+00 1.00729227609E+00 9.53007666632E-01 8.95714963864E-01
8.35918574324E-01 7.74182117173E-01 7.11119815352E-01 6.47385441535E-01
5.83659229570E-01 5.20632657218E-01 4.58991859834E-01 3.99400107725E-01
3.42479886306E-01 2.88795544123E-01 2.38837195864E-01 1.93006684515E-01
1.51606425963E-01 1.14831739656E-01 8.27672263457E-02 5.53874313492E-02
3.25619009130E-02 1.40643868234E-02 -4.14221888247E-04 -1.12499692866E-02
-1.88677774040E-02 -2.37222921714E-02 -2.62787118393E-02 -2.69946494903E-02
-2.63039853428E-02 -2.46034832072E-02 -2.22427201751E-02 -1.95176110128E-02
-1.66675366623E-02 -1.38758334570E-02 -1.12731713991E-02 -8.94319737367E-03
-6.92972529198E-03 -5.24473017754E-03 -3.87645707070E-03 -2.79705553395E-03
-1.96929384872E-03 -1.35206995086E-03 -9.04596234136E-04 -5.89278369033E-04
-3.73419509655E-04 -2.29955502644E-04 -1.37461123146E-04 -7.96679659421E-05
-4.47087933697E-05 -2.42607146888E-05 -1.27106920213E-05 -6.41947598637E-06
-3.12003510193E-06 -1.45668996443E-06 -6.52067565478E-07 -2.79290477998E-07
-1.14215843792E-07 -4.44957446730E-08 -1.64737431989E-08 -5.78162781491E-09
-1.91838074563E-09 -6.00105024691E-10 -1.76459119328E-10 -4.86222912055E-11
-1.25135735331E-11 -2.99772412660E-12 -6.66027056873E-13 -1.36687925392E-13
-2.58024793176E-14 -4.45103425450E-15 -7.13053529555E-16 -1.14588836198E-16
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
</PP_BETA>
<PP_DIJ>
2 Number of nonzero Dij
1 1 1.52388501179E+00
2 2 3.68330413052E+00
</PP_DIJ>
</PP_NONLOCAL>
<PP_PSWFC>
*S 0 2.00 Wavefunction
1.84219730000E-04 1.88883320000E-04 1.93664970000E-04 1.98567680000E-04
2.03594500000E-04 2.08748580000E-04 2.14033140000E-04 2.19451480000E-04
2.25007000000E-04 2.30703160000E-04 2.36543530000E-04 2.42531750000E-04
2.48671580000E-04 2.54966840000E-04 2.61421470000E-04 2.68039520000E-04
2.74825110000E-04 2.81782490000E-04 2.88916010000E-04 2.96230130000E-04
3.03729420000E-04 3.11418570000E-04 3.19302380000E-04 3.27385790000E-04
3.35673860000E-04 3.44171760000E-04 3.52884800000E-04 3.61818440000E-04
3.70978260000E-04 3.80369980000E-04 3.89999490000E-04 3.99872810000E-04
4.09996100000E-04 4.20375690000E-04 4.31018090000E-04 4.41929940000E-04
4.53118080000E-04 4.64589490000E-04 4.76351350000E-04 4.88411020000E-04
5.00776050000E-04 5.13454160000E-04 5.26453290000E-04 5.39781570000E-04
5.53447340000E-04 5.67459150000E-04 5.81825760000E-04 5.96556170000E-04
6.11659600000E-04 6.27145490000E-04 6.43023530000E-04 6.59303670000E-04
6.75996080000E-04 6.93111240000E-04 7.10659830000E-04 7.28652860000E-04
7.47101590000E-04 7.66017560000E-04 7.85412630000E-04 8.05298940000E-04
8.25688950000E-04 8.46595430000E-04 8.68031470000E-04 8.90010510000E-04
9.12546320000E-04 9.35653020000E-04 9.59345100000E-04 9.83637410000E-04
1.00854520000E-03 1.03408400000E-03 1.06027000000E-03 1.08711940000E-03
1.11464920000E-03 1.14287670000E-03 1.17181950000E-03 1.20149590000E-03
1.23192440000E-03 1.26312420000E-03 1.29511490000E-03 1.32791650000E-03
1.36154980000E-03 1.39603580000E-03 1.43139620000E-03 1.46765330000E-03
1.50483000000E-03 1.54294950000E-03 1.58203590000E-03 1.62211390000E-03
1.66320870000E-03 1.70534620000E-03 1.74855290000E-03 1.79285630000E-03
1.83828420000E-03 1.88486540000E-03 1.93262920000E-03 1.98160600000E-03
2.03182660000E-03 2.08332300000E-03 2.13612770000E-03 2.19027420000E-03
2.24579700000E-03 2.30273120000E-03 2.36111300000E-03 2.42097970000E-03
2.48236920000E-03 2.54532080000E-03 2.60987460000E-03 2.67607180000E-03
2.74395480000E-03 2.81356700000E-03 2.88495300000E-03 2.95815860000E-03
3.03323090000E-03 3.11021810000E-03 3.18917000000E-03 3.27013730000E-03
3.35317250000E-03 3.43832930000E-03 3.52566300000E-03 3.61523020000E-03
3.70708940000E-03 3.80130040000E-03 3.89792490000E-03 3.99702610000E-03
4.09866920000E-03 4.20292100000E-03 4.30985050000E-03 4.41952830000E-03
4.53202720000E-03 4.64742230000E-03 4.76579040000E-03 4.88721110000E-03
5.01176570000E-03 5.13953850000E-03 5.27061600000E-03 5.40508710000E-03
5.54304390000E-03 5.68458070000E-03 5.82979520000E-03 5.97878770000E-03
6.13166180000E-03 6.28852440000E-03 6.44948570000E-03 6.61465930000E-03
6.78416270000E-03 6.95811690000E-03 7.13664720000E-03 7.31988280000E-03
7.50795720000E-03 7.70100860000E-03 7.89917990000E-03 8.10261860000E-03
8.31147780000E-03 8.52591570000E-03 8.74609630000E-03 8.97218930000E-03
9.20437090000E-03 9.44282370000E-03 9.68773700000E-03 9.93930750000E-03
1.01977390000E-02 1.04632450000E-02 1.07360440000E-02 1.10163660000E-02
1.13044500000E-02 1.16005440000E-02 1.19049070000E-02 1.22178080000E-02
1.25395290000E-02 1.28703630000E-02 1.32106150000E-02 1.35606070000E-02
1.39206710000E-02 1.42911580000E-02 1.46724340000E-02 1.50648810000E-02
1.54689010000E-02 1.58849150000E-02 1.63133630000E-02 1.67547100000E-02
1.72094410000E-02 1.76780680000E-02 1.81611290000E-02 1.86591900000E-02
1.91728460000E-02 1.97027250000E-02 2.02494900000E-02 2.08138370000E-02
2.13965050000E-02 2.19982720000E-02 2.26199600000E-02 2.32624380000E-02
2.39266290000E-02 2.46135040000E-02 2.53240980000E-02 2.60595040000E-02
2.68208810000E-02 2.76094600000E-02 2.84265470000E-02 2.92735300000E-02
3.01518830000E-02 3.10631720000E-02 3.20090650000E-02 3.29913330000E-02
3.40118650000E-02 3.50726700000E-02 3.61758870000E-02 3.73237980000E-02
3.85188340000E-02 3.97635860000E-02 4.10608200000E-02 4.24134830000E-02
4.38247210000E-02 4.52978940000E-02 4.68365830000E-02 4.84446140000E-02
5.01260700000E-02 5.18853100000E-02 5.37269890000E-02 5.56560720000E-02
5.76778630000E-02 5.97980180000E-02 6.20225750000E-02 6.43579720000E-02
6.68110750000E-02 6.93892010000E-02 7.21001450000E-02 7.49522050000E-02
7.79542090000E-02 8.11155440000E-02 8.44461760000E-02 8.79566820000E-02
9.16582700000E-02 9.55628000000E-02 9.96828080000E-02 1.04031520000E-01
1.08622850000E-01 1.13471430000E-01 1.18592610000E-01 1.24002400000E-01
1.29717510000E-01 1.35755280000E-01 1.42133670000E-01 1.48871140000E-01
1.55986620000E-01 1.63499390000E-01 1.71428950000E-01 1.79794850000E-01
1.88616530000E-01 1.97913080000E-01 2.07702980000E-01 2.18003830000E-01
2.28831980000E-01 2.40202160000E-01 2.52127080000E-01 2.64616920000E-01
2.77678860000E-01 2.91316500000E-01 3.05529320000E-01 3.20312050000E-01
3.35654060000E-01 3.51538760000E-01 3.67942970000E-01 3.84836380000E-01
4.02181010000E-01 4.19930810000E-01 4.38031280000E-01 4.56419280000E-01
4.75022980000E-01 4.93761990000E-01 5.12547650000E-01 5.31283570000E-01
5.49866390000E-01 5.68186760000E-01 5.86130490000E-01 6.03580020000E-01
6.20415900000E-01 6.36518550000E-01 6.51770040000E-01 6.66055930000E-01
6.79267050000E-01 6.91301290000E-01 7.02065130000E-01 7.11475080000E-01
7.19458810000E-01 7.25956080000E-01 7.30919330000E-01 7.34313950000E-01
7.36118330000E-01 7.36323620000E-01 7.34933210000E-01 7.31962140000E-01
7.27436250000E-01 7.21391290000E-01 7.13872060000E-01 7.04931400000E-01
6.94629340000E-01 6.83032230000E-01 6.70211920000E-01 6.56245090000E-01
6.41212500000E-01 6.25198420000E-01 6.08290000000E-01 5.90576720000E-01
5.72149800000E-01 5.53101670000E-01 5.33525390000E-01 5.13514080000E-01
4.93160340000E-01 4.72555720000E-01 4.51790140000E-01 4.30951340000E-01
4.10124390000E-01 3.89391200000E-01 3.68830040000E-01 3.48515180000E-01
3.28516480000E-01 3.08899070000E-01 2.89723100000E-01 2.71043470000E-01
2.52909690000E-01 2.35365710000E-01 2.18449870000E-01 2.02194850000E-01
1.86627670000E-01 1.71769770000E-01 1.57637100000E-01 1.44240290000E-01
1.31584800000E-01 1.19671190000E-01 1.08495340000E-01 9.80487990000E-02
8.83190460000E-02 7.92898830000E-02 7.09417760000E-02 6.32522470000E-02
5.61962560000E-02 4.97466000000E-02 4.38743060000E-02 3.85490200000E-02
3.37393880000E-02 2.94134200000E-02 2.55388380000E-02 2.20834010000E-02
1.90152070000E-02 1.63029630000E-02 1.39162320000E-02 1.18256390000E-02
1.00030550000E-02 8.42174580000E-03 7.05648120000E-03 5.88362540000E-03
4.88118930000E-03 4.02885860000E-03 3.30799500000E-03 2.70161610000E-03
2.19435340000E-03 1.77239540000E-03 1.42341400000E-03 1.13648200000E-03
9.01980660000E-04 7.11502250000E-04 5.57749540000E-04 4.34434060000E-04
3.36175720000E-04 2.58405030000E-04 1.97269630000E-04 1.49545970000E-04
1.12557140000E-04 8.40972500000E-05 6.23627700000E-05 4.58908520000E-05
3.35045580000E-05 2.42647690000E-05 1.74284030000E-05 1.24125100000E-05
8.76373380000E-06 6.13262730000E-06 4.25226340000E-06 2.92068220000E-06
1.98704210000E-06 1.33873530000E-06 8.92976370000E-07 5.89566530000E-07
3.85177100000E-07 2.48947180000E-07 1.59130890000E-07 1.00572820000E-07
6.28291230000E-08 3.87853580000E-08 2.36521340000E-08 1.42441100000E-08
8.46893130000E-09 4.96958660000E-09 2.87740530000E-09 1.64375330000E-09
9.26935810000E-10 5.17300600000E-10 2.88431570000E-10 1.58411090000E-10
8.56653640000E-11 4.55965080000E-11 2.38775610000E-11 1.22970640000E-11
6.22561770000E-12 3.09702600000E-12 1.51319790000E-12 7.25833890000E-13
3.41638340000E-13 1.57716040000E-13 7.13759320000E-14 3.16501520000E-14
1.37443350000E-14 5.84205730000E-15 2.42921730000E-15 9.87606240000E-16
3.92347130000E-16 1.52220220000E-16 5.76406700000E-17 2.12898950000E-17
7.66535140000E-18 2.68858640000E-18 9.18039800000E-19 3.04964680000E-19
9.84885070000E-20 3.09000610000E-20 9.41137000000E-21 2.78060930000E-21
7.96317720000E-22 2.20876360000E-22 5.92893960000E-23
*P 1 2.00 Wavefunction
5.58448210000E-07 5.87080470000E-07 6.17180730000E-07 6.48824270000E-07
6.82090210000E-07 7.17061740000E-07 7.53826290000E-07 7.92475800000E-07
8.33106910000E-07 8.75821230000E-07 9.20725560000E-07 9.67932190000E-07
1.01755920000E-06 1.06973050000E-06 1.12457680000E-06 1.18223510000E-06
1.24284970000E-06 1.30657190000E-06 1.37356140000E-06 1.44398540000E-06
1.51802010000E-06 1.59585070000E-06 1.67767180000E-06 1.76368790000E-06
1.85411420000E-06 1.94917680000E-06 2.04911330000E-06 2.15417360000E-06
2.26462060000E-06 2.38073020000E-06 2.50279300000E-06 2.63111410000E-06
2.76601430000E-06 2.90783100000E-06 3.05691890000E-06 3.21365060000E-06
3.37841820000E-06 3.55163370000E-06 3.73373010000E-06 3.92516280000E-06
4.12641050000E-06 4.33797640000E-06 4.56038950000E-06 4.79420610000E-06
5.04001080000E-06 5.29841810000E-06 5.57007440000E-06 5.85565880000E-06
6.15588550000E-06 6.47150530000E-06 6.80330720000E-06 7.15212120000E-06
7.51881920000E-06 7.90431850000E-06 8.30958270000E-06 8.73562550000E-06
9.18351210000E-06 9.65436240000E-06 1.01493540000E-05 1.06697240000E-05
1.12167750000E-05 1.17918740000E-05 1.23964590000E-05 1.30320420000E-05
1.37002120000E-05 1.44026410000E-05 1.51410840000E-05 1.59173890000E-05
1.67334950000E-05 1.75914450000E-05 1.84933840000E-05 1.94415670000E-05
2.04383650000E-05 2.14862700000E-05 2.25879040000E-05 2.37460200000E-05
2.49635160000E-05 2.62434340000E-05 2.75889770000E-05 2.90035090000E-05
3.04905670000E-05 3.20538700000E-05 3.36973270000E-05 3.54250480000E-05
3.72413530000E-05 3.91507850000E-05 4.11581180000E-05 4.32683730000E-05
4.54868260000E-05 4.78190260000E-05 5.02708040000E-05 5.28482920000E-05
5.55579360000E-05 5.84065120000E-05 6.14011440000E-05 6.45493210000E-05
6.78589160000E-05 7.13382060000E-05 7.49958920000E-05 7.88411230000E-05
8.28835140000E-05 8.71331750000E-05 9.16007350000E-05 9.62973680000E-05
1.01234820000E-04 1.06425440000E-04 1.11882200000E-04 1.17618770000E-04
1.23649480000E-04 1.29989420000E-04 1.36654450000E-04 1.43661230000E-04
1.51027300000E-04 1.58771080000E-04 1.66911930000E-04 1.75470220000E-04
1.84467370000E-04 1.93925870000E-04 2.03869390000E-04 2.14322800000E-04
2.25312250000E-04 2.36865240000E-04 2.49010660000E-04 2.61778900000E-04
2.75201920000E-04 2.89313280000E-04 3.04148300000E-04 3.19744100000E-04
3.36139700000E-04 3.53376130000E-04 3.71496520000E-04 3.90546210000E-04
4.10572880000E-04 4.31626640000E-04 4.53760200000E-04 4.77028940000E-04
5.01491110000E-04 5.27207940000E-04 5.54243810000E-04 5.82666390000E-04
6.12546850000E-04 6.43960000000E-04 6.76984480000E-04 7.11703000000E-04
7.48202490000E-04 7.86574370000E-04 8.26914730000E-04 8.69324630000E-04
9.13910290000E-04 9.60783420000E-04 1.01006140000E-03 1.06186790000E-03
1.11633250000E-03 1.17359180000E-03 1.23378930000E-03 1.29707590000E-03
1.36361040000E-03 1.43355940000E-03 1.50709850000E-03 1.58441200000E-03
1.66569400000E-03 1.75114830000E-03 1.84098940000E-03 1.93544270000E-03
2.03474530000E-03 2.13914660000E-03 2.24890870000E-03 2.36430720000E-03
2.48563210000E-03 2.61318830000E-03 2.74729620000E-03 2.88829310000E-03
3.03653340000E-03 3.19239000000E-03 3.35625510000E-03 3.52854080000E-03
3.70968110000E-03 3.90013180000E-03 4.10037280000E-03 4.31090860000E-03
4.53226980000E-03 4.76501450000E-03 5.00972970000E-03 5.26703300000E-03
5.53757370000E-03 5.82203500000E-03 6.12113540000E-03 6.43563090000E-03
6.76631660000E-03 7.11402880000E-03 7.47964760000E-03 7.86409830000E-03
8.26835490000E-03 8.69344170000E-03 9.14043630000E-03 9.61047250000E-03
1.01047430000E-02 1.06245030000E-02 1.11710720000E-02 1.17458400000E-02
1.23502670000E-02 1.29858920000E-02 1.36543300000E-02 1.43572860000E-02
1.50965470000E-02 1.58739980000E-02 1.66916200000E-02 1.75514970000E-02
1.84558220000E-02 1.94069000000E-02 2.04071570000E-02 2.14591440000E-02
2.25655440000E-02 2.37291760000E-02 2.49530080000E-02 2.62401550000E-02
2.75938960000E-02 2.90176730000E-02 3.05151040000E-02 3.20899900000E-02
3.37463220000E-02 3.54882890000E-02 3.73202890000E-02 3.92469330000E-02
4.12730590000E-02 4.34037380000E-02 4.56442810000E-02 4.80002480000E-02
5.04774590000E-02 5.30819960000E-02 5.58202150000E-02 5.86987480000E-02
6.17245120000E-02 6.49047110000E-02 6.82468380000E-02 7.17586760000E-02
7.54482990000E-02 7.93240660000E-02 8.33946140000E-02 8.76688500000E-02
9.21559370000E-02 9.68652750000E-02 1.01806480000E-01 1.06989340000E-01
1.12423820000E-01 1.18119960000E-01 1.24087880000E-01 1.30337690000E-01
1.36879400000E-01 1.43722920000E-01 1.50877850000E-01 1.58353500000E-01
1.66158660000E-01 1.74301550000E-01 1.82789630000E-01 1.91629470000E-01
2.00826520000E-01 2.10384990000E-01 2.20307600000E-01 2.30595350000E-01
2.41247350000E-01 2.52260530000E-01 2.63629390000E-01 2.75345810000E-01
2.87398740000E-01 2.99774000000E-01 3.12454040000E-01 3.25417760000E-01
3.38640280000E-01 3.52092840000E-01 3.65742680000E-01 3.79553010000E-01
3.93482990000E-01 4.07487820000E-01 4.21518900000E-01 4.35524020000E-01
4.49447730000E-01 4.63231670000E-01 4.76815050000E-01 4.90135240000E-01
5.03128320000E-01 5.15729770000E-01 5.27875200000E-01 5.39501060000E-01
5.50545410000E-01 5.60948610000E-01 5.70654070000E-01 5.79608850000E-01
5.87764310000E-01 5.95076510000E-01 6.01506700000E-01 6.07021580000E-01
6.11593500000E-01 6.15200530000E-01 6.17826490000E-01 6.19460820000E-01
6.20098430000E-01 6.19739460000E-01 6.18389020000E-01 6.16056890000E-01
6.12757170000E-01 6.08508020000E-01 6.03331340000E-01 5.97252450000E-01
5.90299870000E-01 5.82505030000E-01 5.73902040000E-01 5.64527500000E-01
5.54420280000E-01 5.43621320000E-01 5.32173420000E-01 5.20121080000E-01
5.07510270000E-01 4.94388240000E-01 4.80803340000E-01 4.66804780000E-01
4.52442430000E-01 4.37766590000E-01 4.22827820000E-01 4.07676670000E-01
3.92363470000E-01 3.76938150000E-01 3.61449980000E-01 3.45947360000E-01
3.30477610000E-01 3.15086790000E-01 2.99819440000E-01 2.84718400000E-01
2.69824650000E-01 2.55177080000E-01 2.40812350000E-01 2.26764700000E-01
2.13065830000E-01 1.99744770000E-01 1.86827730000E-01 1.74338060000E-01
1.62296140000E-01 1.50719370000E-01 1.39622070000E-01 1.29015560000E-01
1.18908150000E-01 1.09305150000E-01 1.00209010000E-01 9.16193630000E-02
8.35331560000E-02 7.59447920000E-02 6.88462880000E-02 6.22274440000E-02
5.60760410000E-02 5.03780330000E-02 4.51177690000E-02 4.02782040000E-02
3.58411260000E-02 3.17873740000E-02 2.80970630000E-02 2.47497940000E-02
2.17248660000E-02 1.90014700000E-02 1.65588760000E-02 1.43765980000E-02
1.24345580000E-02 1.07132150000E-02 9.19369060000E-03 7.85787140000E-03
6.68849120000E-03 5.66919920000E-03 4.78460950000E-03 4.02033410000E-03
3.36300060000E-03 2.80025640000E-03 2.32075900000E-03 1.91415630000E-03
1.57105620000E-03 1.28298890000E-03 1.04236110000E-03 8.42407030000E-04
6.77133640000E-04 5.41264860000E-04 4.30183770000E-04 3.39882290000E-04
2.66963360000E-04 2.08434130000E-04 1.61738350000E-04 1.24714090000E-04
9.55445520000E-05 7.27129980000E-05 5.49616660000E-05 4.12547140000E-05
3.07450620000E-05 2.27449800000E-05 1.67002290000E-05 1.21675240000E-05
8.79506470000E-06 6.30586810000E-06 4.48362730000E-06 3.16082490000E-06
2.20883300000E-06 1.52974750000E-06 1.04971570000E-06 7.13538400000E-07
4.80345490000E-07 3.20167880000E-07 2.11246630000E-07 1.37943950000E-07
8.91384640000E-08 5.70064370000E-08 3.61067890000E-08 2.27029220000E-08
1.42674480000E-08 8.85928130000E-09 5.43382400000E-09 3.29102710000E-09
1.96759920000E-09 1.16085540000E-09 6.75630550000E-10 3.87774980000E-10
2.19399450000E-10 1.22325940000E-10 6.71841530000E-11 3.63340970000E-11
1.93415330000E-11 1.01302890000E-11 5.21829130000E-12 2.64257200000E-12
1.31501070000E-12 6.42751160000E-13 3.08439410000E-13 1.45247130000E-13
6.70885120000E-14 3.03793580000E-14 1.34797060000E-14
</PP_PSWFC>
<PP_RHOATOM>
6.78744415714E-08 7.13545064754E-08 7.50130030343E-08 7.88590890270E-08
8.29023713546E-08 8.71529676591E-08 9.16215065447E-08 9.63191601842E-08
1.01257688232E-07 1.06449430194E-07 1.11907378641E-07 1.17645173302E-07
1.23677180253E-07 1.30018467646E-07 1.36684899300E-07 1.43693163923E-07
1.51060771524E-07 1.58806157601E-07 1.66948695010E-07 1.75508750027E-07
1.84507729917E-07 1.93968144961E-07 2.03913648913E-07 2.14369132178E-07
2.25360756054E-07 2.36915999343E-07 2.49063761873E-07 2.61834447976E-07
2.75259995798E-07 2.89373979123E-07 3.04211732346E-07 3.19810373877E-07
3.36208905701E-07 3.53448352448E-07 3.71571877321E-07 3.90624798837E-07
4.10654816265E-07 4.31712016641E-07 4.53849098775E-07 4.77121462721E-07
5.01587359034E-07 5.27307984921E-07 5.54347727408E-07 5.82774255448E-07
6.12658719724E-07 6.44075920306E-07 6.77104481457E-07 7.11827105410E-07
7.48330722397E-07 7.86706692016E-07 8.27051090245E-07 8.69464964226E-07
9.14054465635E-07 9.60931338531E-07 1.01021288628E-06 1.06202260308E-06
1.11649024535E-06 1.17375221788E-06 1.23395201750E-06 1.29724045155E-06
1.36377611639E-06 1.43372574078E-06 1.50726461021E-06 1.58457708406E-06
1.66585696391E-06 1.75130801981E-06 1.84114454664E-06 1.93559183525E-06
2.03488686060E-06 2.13927835599E-06 2.24902895630E-06 2.36441312877E-06
2.48572113165E-06 2.61325762240E-06 2.74734230797E-06 2.88831254237E-06
3.03652180889E-06 3.19234292491E-06 3.35616751171E-06 3.52840686901E-06
3.70949506511E-06 3.89988681093E-06 4.10006118244E-06 4.31052228605E-06
4.53180049455E-06 4.76445188703E-06 5.00906315913E-06 5.26625131335E-06
5.53666446219E-06 5.82098464220E-06 6.11992879567E-06 6.43425330883E-06
6.76475096844E-06 7.11225779352E-06 7.47765145035E-06 7.86185790816E-06
8.26584832990E-06 8.69064772393E-06 9.13733186905E-06 9.60703398772E-06
1.01009476842E-05 1.06203263393E-05 1.11664905868E-05 1.17408317818E-05
1.23448106678E-05 1.29799686984E-05 1.36479261088E-05 1.43503889076E-05
1.50891542767E-05 1.58661130256E-05 1.66832565018E-05 1.75426817035E-05
1.84465978761E-05 1.93973297708E-05 2.03973297626E-05 2.14491755179E-05
2.25555880507E-05 2.37194312366E-05 2.49437246355E-05 2.62316473232E-05
2.75865548592E-05 2.90119797459E-05 3.05116496697E-05 3.20894916731E-05
3.37496506156E-05 3.54964942125E-05 3.73346350415E-05 3.92689333680E-05
4.13045208789E-05 4.34468174476E-05 4.57015356022E-05 4.80747173562E-05
5.05727310430E-05 5.32023150987E-05 5.59705826771E-05 5.88850463364E-05
6.19536580215E-05 6.51848118936E-05 6.85873965497E-05 7.21708049674E-05
7.59449801460E-05 7.99204472220E-05 8.41083475613E-05 8.85204776306E-05
9.31693410122E-05 9.80681800672E-05 1.03231042456E-04 1.08672819036E-04
1.14409306670E-04 1.20457276475E-04 1.26834534249E-04 1.33559983228E-04
1.40653722941E-04 1.48137112473E-04 1.56032873051E-04 1.64365173451E-04
1.73159753976E-04 1.82444023965E-04 1.92247188140E-04 2.02600389931E-04
2.13536834428E-04 2.25092032597E-04 2.37303765482E-04 2.50212516582E-04
2.63861556477E-04 2.78297138544E-04 2.93568802039E-04 3.09729561722E-04
3.26836308957E-04 3.44949993686E-04 3.64135970178E-04 3.84464598480E-04
4.06011232359E-04 4.28857101786E-04 4.53089535561E-04 4.78802479443E-04
5.06097264023E-04 5.35083105229E-04 5.65877738937E-04 5.98608480283E-04
6.33412658145E-04 6.70438902796E-04 7.09847996443E-04 7.51814016158E-04
7.96525492445E-04 8.44186927934E-04 8.95020287690E-04 9.49266311487E-04
1.00718693309E-03 1.06906675351E-03 1.13521543724E-03 1.20597012755E-03
1.28169853611E-03 1.36280101550E-03 1.44971503054E-03 1.54291786080E-03
1.64293097742E-03 1.75032469098E-03 1.86572284794E-03 1.98980863193E-03
2.12333028683E-03 2.26710809147E-03 2.42204193985E-03 2.58911942881E-03
2.76942538420E-03 2.96415198687E-03 3.17460995692E-03 3.40224188817E-03
3.64863587683E-03 3.91554107838E-03 4.20488599179E-03 4.51879680281E-03
4.85961989349E-03 5.22994598895E-03 5.63263623073E-03 6.07085272007E-03
6.54809198021E-03 7.06822148026E-03 7.63552183827E-03 8.25473161734E-03
8.93110025755E-03 9.67044322575E-03 1.04792075613E-02 1.13645406197E-02
1.23343702837E-02 1.33974913756E-02 1.45636625941E-02 1.58437136848E-02
1.72496651358E-02 1.87948595555E-02 2.04941060873E-02 2.23638418504E-02
2.44223076821E-02 2.66897405077E-02 2.91885862155E-02 3.19437294696E-02
3.49827387282E-02 3.83361457460E-02 4.20377375816E-02 4.61248449322E-02
5.06386982499E-02 5.56247550974E-02 6.11330790353E-02 6.72186703971E-02
7.39418818448E-02 8.13687509615E-02 8.95713737220E-02 9.86282030421E-02
1.08624331067E-01 1.19651729937E-01 1.31809307043E-01 1.45203001714E-01
1.59945550727E-01 1.76156216002E-01 1.93960226610E-01 2.13487936246E-01
2.34873680852E-01 2.58254294379E-01 2.83767207995E-01 3.11548049634E-01
3.41727863753E-01 3.74429749556E-01 4.09764968888E-01 4.47828708912E-01
4.88695201116E-01 5.32412672527E-01 5.78997858742E-01 6.28430555358E-01
6.80648141533E-01 7.35540541496E-01 7.92945602988E-01 8.52645438304E-01
9.14363820542E-01 9.77765035375E-01 1.04245426873E+00 1.10798002508E+00
1.17383830195E+00 1.23947888917E+00 1.30431355390E+00 1.36772611076E+00
1.42908366320E+00 1.48774933844E+00 1.54309534707E+00 1.59451636640E+00
1.64144245552E+00 1.68335114630E+00 1.71977826915E+00 1.75032679233E+00
1.77467415974E+00 1.79257705225E+00 1.80387426661E+00 1.80848754596E+00
1.80642021411E+00 1.79775417080E+00 1.78264577959E+00 1.76131997244E+00
1.73406396575E+00 1.70122005100E+00 1.66317799553E+00 1.62036741973E+00
1.57324963909E+00 1.52231014955E+00 1.46805085985E+00 1.41098270247E+00
1.35161866032E+00 1.29046713466E+00 1.22802578658E+00 1.16477601723E+00
1.10117793565E+00 1.03766609613E+00 9.74645759111E-01 9.12489990616E-01
8.51537378857E-01 7.92090476975E-01 7.34414900323E-01 6.78739066643E-01
6.25254460192E-01 5.74116445534E-01 5.25445680079E-01 4.79329659784E-01
4.35824807773E-01 3.94958772738E-01 3.56732867490E-01 3.21124666515E-01
2.88090675842E-01 2.57569078237E-01 2.29482303797E-01 2.03739657116E-01
1.80239802677E-01 1.58873071747E-01 1.39523653428E-01 1.22071592303E-01
1.06394603600E-01 9.23697173770E-02 7.98746725580E-02 6.87892118302E-02
5.89961124946E-02 5.03821054095E-02 4.28385543161E-02 3.62620833301E-02
3.05549888781E-02 2.56255301852E-02 2.13881558631E-02 1.77635685525E-02
1.46787324971E-02 1.20667960690E-02 9.86694576891E-03 8.02420104906E-03
6.48916696713E-03 5.21774402254E-03 4.17081401293E-03 3.31390153063E-03
2.61682464386E-03 2.05333769487E-03 1.60077556029E-03 1.23970206519E-03
9.53569979124E-04 7.28394495230E-04 5.52444963598E-04 4.15956322780E-04
3.10863603533E-04 2.30558422176E-04 1.69670062796E-04 1.23869751783E-04
8.96978572944E-05 6.44131854576E-05 4.58628067488E-05 3.23709005455E-05
2.26448842907E-05 1.56970165064E-05 1.07796229023E-05 7.33220062225E-06
4.93868027793E-06 3.29329859308E-06 2.17364082405E-06 1.41960734920E-06
9.17173538900E-07 5.86010515577E-07 3.70152315431E-07 2.31057002880E-07
1.42546767838E-07 8.68931575221E-08 5.23201825350E-08 3.11079036664E-08
1.82578195566E-08 1.05744841057E-08 6.04162010427E-09 3.40392308423E-09
1.89052556977E-09 1.03467123901E-09 5.57796416152E-10 2.96097686370E-10
1.54706469600E-10 7.95279943828E-11 4.02058440895E-11 1.99816335008E-11
9.75788816220E-12 4.68025536271E-12 2.20380626804E-12 1.01827414674E-12
4.61463594204E-13 2.05014946925E-13 8.92502785130E-14 3.80570669856E-14
1.58913316061E-14 6.49946773805E-15 2.60740042836E-15 1.03084533573E-15
4.07120145099E-16 1.56973730355E-16 5.90528865361E-17 2.16617187479E-17
7.74289322406E-18 2.69517051949E-18 9.12953280198E-19 3.00738870230E-19
9.62722373209E-20 2.99272711938E-20 9.02742082866E-21 2.64033320961E-21
7.48189797580E-22 2.05245510447E-22 5.44611281833E-23 1.39663735504E-23
3.45850628223E-24 8.26258107363E-25 1.90269739282E-25 4.21934575465E-26
9.00173688475E-27 1.84581078498E-27 3.63404947693E-28
</PP_RHOATOM>

7396
pseudo/Ti.pz-sp-van_ak.UPF
View File

File diff suppressed because it is too large Load Diff