mirror of https://gitlab.com/QEF/q-e.git
551 lines
38 KiB
Plaintext
551 lines
38 KiB
Plaintext
<PP_INFO>
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Generated using ld1 code (trou)
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Author: P. Giannozzi Generation date: 2001
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Info: Nitrogen BLYP 2s2 2p3 l=1 local Martins-Troullier
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0 The Pseudo was generated with a Non-Relativistic Calculation
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0.00000000000E+00 Local Potential cutoff radius
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nl pn l occ Rcut Rcut US E pseu
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2S 0 0 2.00 1.23000000000 0.00000000000 0.00000000000
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2P 0 1 3.00 1.23000000000 0.00000000000 0.00000000000
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</PP_INFO>
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<PP_HEADER>
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0 Version Number
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N Element
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NC Norm - Conserving pseudopotential
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F Nonlinear Core Correction
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SLA LYP B88 BLYP BLYP Exchange-Correlation functional
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5.00000000000 Z valence
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0.00000000000 Total energy
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55.0000000 220.00000 Suggested cutoff for wfc and rho
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0 Max angular momentum component
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281 Number of points in mesh
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2 1 Number of Wavefunctions, Number of Projectors
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Wavefunctions nl l occ
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2S 0 2.00
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2P 1 3.00
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</PP_HEADER>
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<PP_MESH>
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-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>
|