abinit/tests/tutorespfn/Refs/teph_tdep_legacy_5o_EIGR2D

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**** DERIVATIVE DATABASE ****
+DDB, Version number 20230401
Second derivatives of eigenvalues in text format.
usepaw 0
natom 2
nkpt 8
nsppol 1
nsym 1
ntypat 1
occopt 1
nband 12
acell 0.66750000000000D+01 0.66750000000000D+01 0.66750000000000D+01
amu 0.12011000000000D+02
dilatmx 0.10000000000000D+01
ecut 0.37000000000000D+02
ecutsm 0.00000000000000D+00
intxc 0
iscf 7
ixc -1012
kpt 0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
0.50000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
0.00000000000000D+00 0.50000000000000D+00 0.00000000000000D+00
0.50000000000000D+00 0.50000000000000D+00 0.00000000000000D+00
0.00000000000000D+00 0.00000000000000D+00 0.50000000000000D+00
0.50000000000000D+00 0.00000000000000D+00 0.50000000000000D+00
0.00000000000000D+00 0.50000000000000D+00 0.50000000000000D+00
0.50000000000000D+00 0.50000000000000D+00 0.50000000000000D+00
kptnrm 0.10000000000000D+01
ngfft 27 27 27
nspden 1
nspinor 1
occ 0.20000000000000D+01 0.20000000000000D+01 0.20000000000000D+01
0.20000000000000D+01 0.00000000000000D+00 0.00000000000000D+00
0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
rprim 0.00000000000000D+00 0.50000000000000D+00 0.50000000000000D+00
0.50000000000000D+00 0.00000000000000D+00 0.50000000000000D+00
0.50000000000000D+00 0.50000000000000D+00 0.00000000000000D+00
dfpt_sciss 0.00000000000000D+00
spinat 0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
symafm 1
symrel 1 0 0 0 1 0 0 0 1
tnons 0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
tolwfr 0.10000000000000D+01
tphysel 0.00000000000000D+00
tsmear 0.10000000000000D-01
typat 1 1
wtk 0.12500000000000D+00 0.12500000000000D+00 0.12500000000000D+00
0.12500000000000D+00 0.12500000000000D+00 0.12500000000000D+00
0.12500000000000D+00 0.12500000000000D+00
xred 0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
0.25000000000000D+00 0.25000000000000D+00 0.25000000000000D+00
znucl 0.60000000000000D+01
zion 0.40000000000000D+01
Description of the potentials (KB energies)
vrsio8 (for pseudopotentials)=100401
usepaw = 0
dimekb = 4 lmnmax= 4
Atom type= 1 pspso= 0 nekb= 4
iln lpsang iproj ekb(:)
1 0 1 6.4315054E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
2 0 2 0.0000000E+00 4.0056029E-01 0.0000000E+00 0.0000000E+00
3 1 1 0.0000000E+00 0.0000000E+00 -4.1856842E+00 0.0000000E+00
4 1 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 -8.9292373E-01
**** Database of total energy derivatives ****
Number of data blocks= 1
2nd eigenvalue derivatives - # elements : 36
qpt 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.0
K-point: 0.00000000E+00 0.00000000E+00 0.00000000E+00
Band: 1
1 1 1 1 -0.24666587238992D+01 -0.32959746043559D-16
2 1 1 1 -0.12378271228989D+01 -0.40070131495650D-03
3 1 1 1 -0.12328362476532D+01 -0.36902490516325D-02
1 2 1 1 0.15716995935536D+00 -0.22304089237963D-05
2 2 1 1 0.83083401074084D-01 0.39998263992701D-03
3 2 1 1 0.78094852271395D-01 0.36895356673980D-02
1 1 2 1 -0.12378271228989D+01 0.40070131495648D-03
2 1 2 1 -0.24667205106669D+01 0.16479873021780D-16
3 1 2 1 -0.12363317816577D+01 0.38903862214111D-02
1 2 2 1 0.83083069419543D-01 -0.40281892675149D-03
2 2 2 1 0.15723162613629D+00 -0.13842212703667D-06
3 2 2 1 0.81586993659872D-01 -0.38938410051345D-02
1 1 3 1 -0.12328362476532D+01 0.36902490516325D-02
2 1 3 1 -0.12363317816577D+01 -0.38903862214111D-02
3 1 3 1 -0.24638740555008D+01 0.20599841277225D-17
1 2 3 1 0.78090647720031D-01 -0.36930600470716D-02
2 2 3 1 0.81587645632785D-01 0.38888321855259D-02
3 2 3 1 0.15438436920641D+00 -0.27607665730973D-05
1 1 1 2 0.15716995935536D+00 0.22304089238385D-05
2 1 1 2 0.83083069419543D-01 0.40281892675144D-03
3 1 1 2 0.78090647720031D-01 0.36930600470716D-02
1 2 1 2 -0.24666616271140D+01 -0.48572257327351D-16
2 2 1 2 -0.12378262524822D+01 -0.39982219281745D-03
3 2 1 2 -0.12328386749622D+01 -0.36927839939594D-02
1 1 2 2 0.83083401074084D-01 -0.39998263992694D-03
2 1 2 2 0.15723162613629D+00 0.13842212708709D-06
3 1 2 2 0.81587645632785D-01 -0.38888321855259D-02
1 2 2 2 -0.12378262524822D+01 0.39982219281740D-03
2 2 2 2 -0.24667201475034D+01 -0.42067044292438D-16
3 2 2 2 -0.12363287696442D+01 0.38909877402241D-02
1 1 3 2 0.78094852271395D-01 -0.36895356673981D-02
2 1 3 2 0.81586993659872D-01 0.38938410051344D-02
3 1 3 2 0.15438436920641D+00 0.27607665729830D-05
1 2 3 2 -0.12328386749622D+01 0.36927839939594D-02
2 2 3 2 -0.12363287696442D+01 -0.38909877402242D-02
3 2 3 2 -0.24638718497113D+01 -0.29056618222612D-16
Band: 2
1 1 1 1 -0.40226610504322D+02 0.78756445809347D-15
2 1 1 1 -0.49564005955756D+02 0.57206409324890D-01
3 1 1 1 -0.34737072203033D+02 0.42623063902388D-02
1 2 1 1 0.15695905616970D+01 -0.36814253875540D-02
2 2 1 1 0.13508367187725D+01 -0.68345883901048D-01
3 2 1 1 0.70917109404793D+00 -0.62460497528351D-02
1 1 2 1 -0.49564005955756D+02 -0.57206409324891D-01
2 1 2 1 -0.84462621504910D+02 0.42327252813834D-15
3 1 2 1 -0.51427864804942D+02 -0.28612872499163D-01
1 2 2 1 0.13595085369681D+01 0.53343440115412D-01
2 2 2 1 0.24485035228362D+01 -0.11869096653049D-01
3 2 2 1 0.14603930372765D+01 0.26634750192717D-01
1 1 3 1 -0.34737072203033D+02 -0.42623063902387D-02
2 1 3 1 -0.51427864804942D+02 0.28612872499164D-01
3 1 3 1 -0.42548798643195D+02 0.36082248300318D-15
1 2 3 1 0.70478453194904D+00 -0.11115971481414D-02
2 2 3 1 0.14449706452466D+01 -0.41582413728864D-01
3 2 3 1 0.16749979693950D+01 -0.16212146971436D-02
1 1 1 2 0.15695905616970D+01 0.36814253875478D-02
2 1 1 2 0.13595085369681D+01 -0.53343440115408D-01
3 1 1 2 0.70478453194904D+00 0.11115971481373D-02
1 2 1 2 -0.40213371693008D+02 -0.41633363423443D-16
2 2 1 2 -0.49540980524326D+02 0.64338654916368D-01
3 2 1 2 -0.34728888619280D+02 0.14247038932401D-02
1 1 2 2 0.13508367187725D+01 0.68345883901050D-01
2 1 2 2 0.24485035228362D+01 0.11869096653051D-01
3 1 2 2 0.14449706452466D+01 0.41582413728863D-01
1 2 2 2 -0.49540980524326D+02 -0.64338654916368D-01
2 2 2 2 -0.84438636266010D+02 -0.11379786002408D-14
3 2 2 2 -0.51414005951581D+02 -0.38782562618649D-01
1 1 3 2 0.70917109404793D+00 0.62460497528280D-02
2 1 3 2 0.14603930372765D+01 -0.26634750192718D-01
3 1 3 2 0.16749979693950D+01 0.16212146971416D-02
1 2 3 2 -0.34728888619280D+02 -0.14247038932392D-02
2 2 3 2 -0.51414005951581D+02 0.38782562618650D-01
3 2 3 2 -0.42545616877051D+02 0.21163626406917D-15
Band: 3
1 1 1 1 -0.25331352287559D+02 -0.40245584642662D-15
2 1 1 1 -0.27414040341784D+01 -0.39479575566675D-01
3 1 1 1 -0.27942777531413D+02 -0.41766072427062D-01
1 2 1 1 0.19738947760063D+01 0.16689790622767D-02
2 2 1 1 0.41881021642377D+00 0.39316551028022D-01
3 2 1 1 0.16289746489069D+01 0.42896579046139D-01
1 1 2 1 -0.27414040341784D+01 0.39479575566675D-01
2 1 2 1 -0.17099821430885D+02 0.13877787807814D-16
3 1 2 1 0.97892444120753D+00 -0.87671121667567D-01
1 2 2 1 0.43444071642623D+00 -0.29965237614843D-01
2 2 2 1 0.80722906339955D+00 0.16109752166050D-02
3 2 2 1 0.23500177639293D+00 0.94794542189413D-01
1 1 3 1 -0.27942777531413D+02 0.41766072427062D-01
2 1 3 1 0.97892444120753D+00 0.87671121667567D-01
3 1 3 1 -0.54157306977381D+02 0.27755575615629D-15
1 2 3 1 0.16174888494524D+01 -0.26606478883889D-01
2 2 3 1 0.22104896711578D+00 -0.82826338738680D-01
3 2 3 1 0.21176765256276D+01 0.10557520465108D-01
1 1 1 2 0.19738947760063D+01 -0.16689790622775D-02
2 1 1 2 0.43444071642624D+00 0.29965237614843D-01
3 1 1 2 0.16174888494524D+01 0.26606478883892D-01
1 2 1 2 -0.25353649188009D+02 -0.18041124150159D-15
2 2 1 2 -0.27599523629436D+01 -0.29202753918066D-01
3 2 1 2 -0.27948522658445D+02 -0.28514539272329D-01
1 1 2 2 0.41881021642377D+00 -0.39316551028023D-01
2 1 2 2 0.80722906339954D+00 -0.16109752166048D-02
3 1 2 2 0.22104896711578D+00 0.82826338738679D-01
1 2 2 2 -0.27599523629436D+01 0.29202753918066D-01
2 2 2 2 -0.17103298510967D+02 0.83266726846887D-16
3 2 2 2 0.96612914779636D+00 -0.90606323958731D-01
1 1 3 2 0.16289746489069D+01 -0.42896579046140D-01
2 1 3 2 0.23500177639293D+00 -0.94794542189414D-01
3 1 3 2 0.21176765256276D+01 -0.10557520465107D-01
1 2 3 2 -0.27948522658445D+02 0.28514539272329D-01
2 2 3 2 0.96612914779635D+00 0.90606323958731D-01
3 2 3 2 -0.54153011233538D+02 0.11102230246252D-14
Band: 4
1 1 1 1 -0.49679523638970D+02 -0.14432899320127D-14
2 1 1 1 -0.53033921044133D+01 -0.11381426684796D-01
3 1 1 1 0.49473152041178D+01 0.11686588038936D+00
1 2 1 1 0.16001166231585D+01 0.49254710086351D-02
2 2 1 1 0.78169575615840D+00 0.21533027796540D-01
3 2 1 1 0.35189602427489D+00 -0.12412734249611D+00
1 1 2 1 -0.53033921044133D+01 0.11381426684796D-01
2 1 2 1 -0.13521499498718D+02 -0.81532003370910D-16
3 1 2 1 -0.71961862667896D+01 0.26955213790383D-01
1 2 2 1 0.77723723129009D+00 -0.11308454801254D-01
2 2 2 1 0.17225595170510D+01 -0.57126530075886D-03
3 2 2 1 0.92033183565660D+00 -0.24934472843928D-01
1 1 3 1 0.49473152041178D+01 -0.11686588038936D+00
2 1 3 1 -0.71961862667896D+01 -0.26955213790383D-01
3 1 3 1 -0.18539342650999D+02 0.73552275381417D-15
1 2 3 1 0.34657697667660D+00 0.11916257766351D+00
2 2 3 1 0.91317931813648D+00 0.32078974849612D-01
3 2 3 1 0.13558977147191D+01 0.33676538835756D-02
1 1 1 2 0.16001166231585D+01 -0.49254710086347D-02
2 1 1 2 0.77723723129009D+00 0.11308454801254D-01
3 1 1 2 0.34657697667660D+00 -0.11916257766351D+00
1 2 1 2 -0.49683885323136D+02 -0.12490009027033D-14
2 2 1 2 -0.53078300875211D+01 -0.22130543795061D-01
3 2 1 2 0.49448044981390D+01 0.12684244207802D+00
1 1 2 2 0.78169575615839D+00 -0.21533027796540D-01
2 1 2 2 0.17225595170510D+01 0.57126530075750D-03
3 1 2 2 0.91317931813648D+00 -0.32078974849612D-01
1 2 2 2 -0.53078300875211D+01 0.22130543795060D-01
2 2 2 2 -0.13521316312387D+02 0.82399365108898D-16
3 2 2 2 -0.71972267914196D+01 0.30115571817338D-01
1 1 3 2 0.35189602427489D+00 0.12412734249611D+00
2 1 3 2 0.92033183565659D+00 0.24934472843931D-01
3 1 3 2 0.13558977147191D+01 -0.33676538835733D-02
1 2 3 2 0.49448044981390D+01 -0.12684244207802D+00
2 2 3 2 -0.71972267914196D+01 -0.30115571817338D-01
3 2 3 2 -0.18554355797327D+02 0.45102810375397D-15
Band: 5
1 1 1 1 -0.39884092177330D+02 -0.58286708792821D-15
2 1 1 1 -0.45818940159327D+01 -0.34767798336961D-01
3 1 1 1 0.71308814531819D+01 0.41194641089660D+00
1 2 1 1 -0.17231394079690D+01 -0.14927909463170D-01
2 2 1 1 -0.69577037088457D+00 -0.56491846825657D-01
3 2 1 1 -0.69243337716681D+00 0.42458766923530D+00
1 1 2 1 -0.45818940159326D+01 0.34767798336961D-01
2 1 2 1 -0.12909794155474D+02 -0.41633363423443D-16
3 1 2 1 -0.73395717721098D+01 0.74381066033693D-01
1 2 2 1 -0.68479445807041D+00 0.35249445189183D-01
2 2 2 1 -0.16011960789414D+01 0.79109009183607D-03
3 2 2 1 -0.86914979692662D+00 0.72287817393399D-01
1 1 3 1 0.71308814531819D+01 -0.41194641089661D+00
2 1 3 1 -0.73395717721098D+01 -0.74381066033693D-01
3 1 3 1 -0.20829416562183D+02 -0.16653345369377D-15
1 2 3 1 -0.68043338851517D+00 -0.41840723881344D+00
2 2 3 1 -0.85783096700942D+00 -0.87847598931028D-01
3 2 3 1 -0.15016004390953D+01 -0.62082787383803D-02
1 1 1 2 -0.17231394079690D+01 0.14927909463174D-01
2 1 1 2 -0.68479445807041D+00 -0.35249445189184D-01
3 1 1 2 -0.68043338851517D+00 0.41840723881344D+00
1 2 1 2 -0.39893569751535D+02 -0.12628786905111D-14
2 2 1 2 -0.45913447595506D+01 -0.57706958852665D-01
3 2 1 2 0.71306835383617D+01 0.43132034073063D+00
1 1 2 2 -0.69577037088457D+00 0.56491846825657D-01
2 1 2 2 -0.16011960789414D+01 -0.79109009183708D-03
3 1 2 2 -0.85783096700942D+00 0.87847598931027D-01
1 2 2 2 -0.45913447595506D+01 0.57706958852665D-01
2 2 2 2 -0.12910378345490D+02 0.71991024253037D-16
3 2 2 2 -0.73384311481531D+01 0.85691281501732D-01
1 1 3 2 -0.69243337716681D+00 -0.42458766923530D+00
2 1 3 2 -0.86914979692662D+00 -0.72287817393400D-01
3 1 3 2 -0.15016004390953D+01 0.62082787383809D-02
1 2 3 2 0.71306835383617D+01 -0.43132034073063D+00
2 2 3 2 -0.73384311481531D+01 -0.85691281501732D-01
3 2 3 2 -0.20854941566000D+02 0.31225022567583D-15
Band: 6
1 1 1 1 -0.26786747668415D+02 0.27061686225238D-15
2 1 1 1 -0.12356423689439D+01 -0.14921936318196D+00
3 1 1 1 -0.27243907035561D+02 -0.15662889959810D+00
1 2 1 1 -0.17808968883287D+01 0.23248061673007D-02
2 2 1 1 -0.66603244012966D+00 -0.14772480712214D+00
3 2 1 1 -0.11509305627860D+01 -0.15514975575340D+00
1 1 2 1 -0.12356423689440D+01 0.14921936318196D+00
2 1 2 1 -0.16306453011521D+02 -0.24633073358871D-15
3 1 2 1 0.16420194418965D+01 -0.27551821811714D+00
1 2 2 1 -0.69994133542583D+00 0.12912188914627D+00
2 2 2 1 -0.14802317747595D+01 -0.33235563270501D-02
3 2 2 1 -0.62144734145250D+00 -0.29176337724352D+00
1 1 3 1 -0.27243907035561D+02 0.15662889959810D+00
2 1 3 1 0.16420194418965D+01 0.27551821811714D+00
3 1 3 1 -0.45529945282679D+02 -0.52735593669695D-15
1 2 3 1 -0.11283426271092D+01 0.12649053555767D+00
2 2 3 1 -0.58954276049942D+00 0.26756780745652D+00
3 2 3 1 -0.19645722180252D+01 -0.22100518741559D-01
1 1 1 2 -0.17808968883287D+01 -0.23248061673005D-02
2 1 1 2 -0.69994133542583D+00 -0.12912188914627D+00
3 1 1 2 -0.11283426271092D+01 -0.12649053555767D+00
1 2 1 2 -0.26831646494771D+02 -0.44061976289811D-15
2 2 1 2 -0.12752838851802D+01 -0.12713585941501D+00
3 2 1 2 -0.27258969213597D+02 -0.12613730874819D+00
1 1 2 2 -0.66603244012966D+00 0.14772480712214D+00
2 1 2 2 -0.14802317747595D+01 0.33235563270497D-02
3 1 2 2 -0.58954276049942D+00 -0.26756780745652D+00
1 2 2 2 -0.12752838851802D+01 0.12713585941501D+00
2 2 2 2 -0.16315050968281D+02 -0.97144514654701D-16
3 2 2 2 0.16116348829820D+01 -0.28443555252171D+00
1 1 3 2 -0.11509305627860D+01 0.15514975575339D+00
2 1 3 2 -0.62144734145250D+00 0.29176337724352D+00
3 1 3 2 -0.19645722180252D+01 0.22100518741558D-01
1 2 3 2 -0.27258969213597D+02 0.12613730874819D+00
2 2 3 2 0.16116348829819D+01 0.28443555252171D+00
3 2 3 2 -0.45523991559113D+02 -0.17347234759768D-15
Band: 7
1 1 1 1 -0.39610475382379D+02 0.24980018054066D-15
2 1 1 1 -0.47289108161235D+02 0.20890216065566D+00
3 1 1 1 -0.33396240464643D+02 0.18223041633984D-01
1 2 1 1 -0.21172233482385D+01 0.64851349671619D-02
2 2 1 1 -0.13898816655639D+01 0.23180955636713D+00
3 2 1 1 -0.13476952054405D+01 0.21600784423654D-01
1 1 2 1 -0.47289108161235D+02 -0.20890216065566D+00
2 1 2 1 -0.76543659513662D+02 0.20504431486046D-14
3 1 2 1 -0.47528806365259D+02 -0.99518413358312D-01
1 2 2 1 -0.14094553479295D+01 -0.20119476885081D+00
2 2 2 1 -0.19891183758955D+01 0.25856251142987D-01
3 2 2 1 -0.14409407973088D+01 -0.96316549408449D-01
1 1 3 1 -0.33396240464643D+02 -0.18223041633984D-01
2 1 3 1 -0.47528806365259D+02 0.99518413358313D-01
3 1 3 1 -0.39944619769881D+02 -0.34000580129145D-15
1 2 3 1 -0.13374933401564D+01 -0.77648608693699D-02
2 2 3 1 -0.14062291610359D+01 0.12724961795553D+00
3 2 3 1 -0.21713703038765D+01 0.20466143501346D-02
1 1 1 2 -0.21172233482385D+01 -0.64851349671603D-02
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3 1 1 2 -0.13374933401564D+01 0.77648608693746D-02
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Band: 8
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Band: 9
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Band: 10
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Band: 11
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Band: 12
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K-point: 5.00000000E-01 0.00000000E+00 0.00000000E+00
Band: 1
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Band: 2
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Band: 3
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Band: 4
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Band: 5
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Band: 6
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Band: 7
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Band: 8
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Band: 9
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Band: 10
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Band: 12
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K-point: 0.00000000E+00 5.00000000E-01 0.00000000E+00
Band: 1
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Band: 2
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Band: 3
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Band: 4
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Band: 5
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Band: 6
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Band: 7
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Band: 8
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Band: 9
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Band: 10
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Band: 11
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Band: 12
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K-point: 5.00000000E-01 5.00000000E-01 0.00000000E+00
Band: 1
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Band: 2
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Band: 3
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Band: 4
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Band: 7
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Band: 9
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Band: 10
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Band: 11
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3 2 3 2 0.00000000000000D+00 0.00000000000000D+00
K-point: 0.00000000E+00 0.00000000E+00 5.00000000E-01
Band: 1
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2 2 3 2 -0.18891460684879D+01 0.13725466580898D-05
3 2 3 2 -0.63860325360994D+01 0.27755575615629D-16
Band: 2
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2 1 1 1 -0.32599689547670D+01 -0.26086308423089D-04
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2 2 3 2 -0.32598988475252D+01 -0.32256269774811D-05
3 2 3 2 -0.22317707278351D+02 0.22204460492503D-15
Band: 3
1 1 1 1 -0.32088582957823D+02 -0.15265566588596D-15
2 1 1 1 -0.41028898581334D+02 -0.22955385351294D-04
3 1 1 1 -0.25319216017511D+02 -0.49067191084900D-04
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1 1 1 2 0.17881424951525D+01 -0.89448655967925D-05
2 1 1 2 0.15674924411640D+01 0.97863896372907D-05
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2 2 1 2 -0.41028902528349D+02 0.47484601161343D-04
3 2 1 2 -0.25319312424365D+02 0.23792614645815D-04
1 1 2 2 0.15675026123145D+01 0.27561668197250D-04
2 1 2 2 0.29742042351841D+01 0.24671526319620D-04
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2 2 2 2 -0.76092927548806D+02 -0.19428902930940D-15
3 2 2 2 -0.39153639855923D+02 -0.54137230302460D-04
1 1 3 2 0.15852310376238D+01 -0.54525672162856D-06
2 1 3 2 0.15696141063104D+01 0.45211611687887D-04
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2 2 3 2 -0.39153639855923D+02 0.54137230301107D-04
3 2 3 2 -0.31829589196782D+02 -0.11102230246252D-15
Band: 4
1 1 1 1 -0.57448244990197D+02 -0.52215176626902D-15
2 1 1 1 -0.37395476124376D+01 -0.55469804048408D-04
3 1 1 1 -0.19449173282486D+02 -0.49177804164437D-04
1 2 1 1 0.24716586258876D+01 -0.19461757148034D-04
2 2 1 1 0.56241317645284D+00 0.12102009343125D-04
3 2 1 1 0.54463300370823D+00 0.27383127155388D-04
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1 2 2 1 0.56241001613594D+00 -0.42816508392940D-06
2 2 2 1 0.12855916859036D+01 0.30603969344470D-04
3 2 2 1 0.56028419080444D+00 0.68838108961243D-04
1 1 3 1 -0.19449173282486D+02 0.49177804164600D-04
2 1 3 1 -0.56148058839781D+01 -0.28781330294880D-05
3 1 3 1 -0.17986823918932D+02 0.24633073358871D-15
1 2 3 1 0.54461196200528D+00 0.34571211890039D-04
2 2 3 1 0.56030159067688D+00 0.76649087102369D-04
3 2 3 1 0.14528848963533D+01 0.10407046212282D-03
1 1 1 2 0.24716586258876D+01 0.19461757149269D-04
2 1 1 2 0.56241001613593D+00 0.42816508358245D-06
3 1 1 2 0.54461196200528D+00 -0.34571211890389D-04
1 2 1 2 -0.57448288957701D+02 0.62172489379009D-14
2 2 1 2 -0.37395623215210D+01 0.43102032170634D-04
3 2 1 2 -0.19449203392110D+02 0.59311540838936D-04
1 1 2 2 0.56241317645284D+00 -0.12102009345545D-04
2 1 2 2 0.12855916859036D+01 -0.30603969344036D-04
3 1 2 2 0.56030159067688D+00 -0.76649087101215D-04
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1 1 3 2 0.54463300370823D+00 -0.27383127153827D-04
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2 2 3 2 -0.56148490140201D+01 -0.49619020607711D-05
3 2 3 2 -0.17986852324299D+02 0.15543122344752D-14
Band: 5
1 1 1 1 -0.58754186960889D+02 0.48572257327351D-16
2 1 1 1 -0.59284021921505D+01 -0.26922972156593D-04
3 1 1 1 -0.21423668286688D+02 -0.20635362450073D-04
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1 2 2 1 -0.55680182352525D+00 0.93910975664385D-05
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2 1 3 1 -0.64230655069737D+01 -0.13465880952017D-04
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1 2 3 1 -0.51492051203059D+00 0.56687930832834D-05
2 2 3 1 -0.55546480039285D+00 -0.20979073224342D-04
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3 2 1 2 -0.21423666688026D+02 -0.85024452056714D-06
1 1 2 2 -0.55680583719825D+00 0.61384917297881D-05
2 1 2 2 -0.11381071202619D+01 0.80273949175438D-05
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2 2 3 2 -0.64230655800444D+01 0.21668473361124D-05
3 2 3 2 -0.18880976014755D+02 -0.44408920985006D-15
Band: 6
1 1 1 1 -0.29485440495157D+02 0.61062266354384D-15
2 1 1 1 -0.38191422097176D+02 0.17186443732248D-04
3 1 1 1 -0.22696148441246D+02 -0.88984328744553D-05
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3 2 1 2 -0.22696159261490D+02 0.60797391887718D-05
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2 1 2 2 -0.21454251512811D+01 -0.75120278778922D-05
3 1 2 2 -0.10863151254723D+01 -0.37026849669004D-04
1 2 2 2 -0.38191393790360D+02 -0.76673623682355D-05
2 2 2 2 -0.74885687229797D+02 -0.99920072216264D-15
3 2 2 2 -0.37696754178082D+02 -0.22680076893516D-04
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2 1 3 2 -0.10862942506315D+01 0.97670718241794D-05
3 1 3 2 -0.14487674314261D+01 -0.42238988700483D-04
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2 2 3 2 -0.37696754178082D+02 0.22680076893641D-04
3 2 3 2 -0.29824041363440D+02 -0.52735593669695D-15
Band: 7
1 1 1 1 -0.84651854594108D+01 0.48225312632155D-15
2 1 1 1 -0.42325675535885D+01 -0.10365063001768D-04
3 1 1 1 -0.42325925291183D+01 -0.86246298468852D-05
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2 1 2 1 -0.84651473661130D+01 0.10755285551056D-14
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3 2 1 2 -0.42326174426438D+01 0.11873658663730D-04
1 1 2 2 -0.64663508005630D+00 0.25529900490465D-05
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2 2 2 2 -0.84652549236194D+01 0.11102230246252D-15
3 2 2 2 -0.42326248164979D+01 0.11497753065647D-04
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2 2 3 2 -0.42326248164979D+01 -0.11497753065734D-04
3 2 3 2 -0.88276815350609D+01 -0.25326962749261D-14
Band: 8
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2 1 1 1 -0.79097209979028D+01 -0.84396543864097D-04
3 1 1 1 -0.79096380931406D+01 -0.71808741206533D-05
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Band: 9
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3 2 3 2 -0.77776437368569D+02 -0.35527136788005D-14
Band: 10
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2 1 1 1 -0.12309322716503D+02 -0.12161374779635D-04
3 1 1 1 -0.12309276140690D+02 0.44360222629658D-04
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3 2 3 2 -0.69151035065925D+02 -0.44408920985006D-14
Band: 11
1 1 1 1 0.00000000000000D+00 0.00000000000000D+00
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Band: 12
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3 2 3 2 0.00000000000000D+00 0.00000000000000D+00
K-point: 5.00000000E-01 0.00000000E+00 5.00000000E-01
Band: 1
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Band: 2
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Band: 3
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Band: 4
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Band: 5
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Band: 6
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Band: 7
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Band: 8
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Band: 9
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Band: 10
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Band: 11
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Band: 12
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K-point: 0.00000000E+00 5.00000000E-01 5.00000000E-01
Band: 1
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Band: 2
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Band: 3
1 1 1 1 -0.13802831640328D+02 0.20653712572670D-15
2 1 1 1 -0.28385667121911D+01 -0.39296273256096D-04
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1 1 3 2 0.12732549127423D+00 -0.35256247520619D-04
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2 2 3 2 0.62198903476968D+01 0.54854193083719D-05
3 2 3 2 -0.20156628422055D+02 -0.32935351494678D-15
Band: 4
1 1 1 1 -0.60878884526770D+02 0.20312527701516D-15
2 1 1 1 -0.34502339473416D+02 0.41022297422074D-05
3 1 1 1 -0.26376514563222D+02 -0.71866163751033D-06
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1 2 2 1 0.10213981032591D+01 0.91837078478801D-05
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1 1 1 2 0.20428040296450D+01 0.25167026211081D-05
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1 1 2 2 0.10213806730841D+01 -0.59610327185630D-05
2 1 2 2 0.74229117068509D+00 0.29351264901554D-04
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1 1 3 2 0.10213948899540D+01 0.24183339416846D-04
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2 2 3 2 -0.17318053918359D+02 0.25587574656564D-04
3 2 3 2 -0.28282312558843D+02 0.72424705122032D-16
Band: 5
1 1 1 1 -0.50046633425517D+01 0.16117935843418D-15
2 1 1 1 -0.25023384683722D+01 -0.29345479721774D-05
3 1 1 1 -0.25023326114553D+01 0.54136590248480D-05
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2 2 3 2 -0.11358170946433D+02 -0.51995719490350D-05
3 2 3 2 -0.13738092281326D+02 0.78062556418956D-17
Band: 6
1 1 1 1 -0.47598607137410D+01 0.18795999912752D-15
2 1 1 1 -0.23799330047487D+01 0.19867238688433D-04
3 1 1 1 -0.23799327040095D+01 0.14132977015515D-04
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2 2 3 2 -0.23254366028480D+01 -0.88082742364208D-05
3 2 3 2 -0.48277759333283D+01 -0.12490009027033D-15
Band: 7
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3 1 1 1 -0.68106787743816D+01 -0.85368239099949D-05
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Band: 8
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Band: 9
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2 2 3 2 -0.13607312365411D+03 0.23107902167863D-04
3 2 3 2 -0.15812090682954D+03 0.13530843112619D-14
Band: 10
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2 2 3 2 -0.19422668012466D+01 -0.77806562632024D-05
3 2 3 2 -0.33583358260243D+01 -0.18735013540550D-15
Band: 11
1 1 1 1 0.00000000000000D+00 0.00000000000000D+00
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Band: 12
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K-point: 5.00000000E-01 5.00000000E-01 5.00000000E-01
Band: 1
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Band: 2
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Band: 3
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Band: 4
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