Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 22 9 15 Automatically converted from original format 1 The Pseudo was generated with a Scalar-Relativistic Calculation 2.10000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 4D 4 2 10.00 0.00000000000 1.70000000000 -3.08460928900 5S 5 0 2.00 0.00000000000 1.70000000000 -1.52212487300 5P 5 1 2.00 0.00000000000 1.80000000000 -0.88424077300 0 Version Number Sb Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PSX PSC PBEsol Exchange-Correlation functional 15.00000000000 Z valence -183.65505415600 Total energy 0.00000 0.00000 Suggested cutoff for wfc and rho 2 Max angular momentum component 891 Number of points in mesh 3 6 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 4D 2 10.00 5S 0 2.00 5P 1 2.00 0.00000000000E+00 1.12197081103E-09 2.27234444837E-09 3.45183993299E-09 4.66119448795E-09 5.90116399923E-09 7.17252348814E-09 8.47606759574E-09 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-4.26688640685E-05 -4.59901505266E-05 -4.95699437578E-05 -5.34283597338E-05 -5.75870719739E-05 -6.20694475340E-05 -6.69006623335E-05 -7.21078545593E-05 -7.77202695410E-05 -8.37694227649E-05 -9.02892864699E-05 -9.73164636235E-05 -1.04890407754E-04 -1.13053632948E-04 -1.21851955749E-04 -1.31334754402E-04 -1.41555236463E-04 -1.52570743405E-04 -1.64443066992E-04 -1.77238791849E-04 -1.91029675009E-04 -2.05893034272E-04 -2.21912189290E-04 -2.39176918019E-04 -2.57783956866E-04 -2.77837549501E-04 -2.99450006536E-04 -3.22742345616E-04 -3.47844959183E-04 -3.74898326443E-04 -4.04053814485E-04 -4.35474490995E-04 -4.69336042900E-04 -5.05827743928E-04 -5.45153491655E-04 -5.87532947694E-04 -6.33202732101E-04 -6.82417734578E-04 -7.35452516891E-04 -7.92602806332E-04 -8.54187145957E-04 -9.20548606878E-04 -9.92056682020E-04 -1.06910930552E-03 -1.15213500508E-03 -1.24159526044E-03 -1.33798698227E-03 -1.44184522374E-03 -1.55374607583E-03 -1.67430975637E-03 -1.80420399432E-03 -1.94414757053E-03 -2.09491420105E-03 -2.25733667410E-03 -2.43231126568E-03 -2.62080255035E-03 -2.82384846368E-03 -3.04256581810E-03 -3.27815618201E-03 -3.53191215067E-03 -3.80522415621E-03 -4.09958764134E-03 -4.41661084701E-03 -4.75802309684E-03 -5.12568364718E-03 -5.52159121987E-03 -5.94789410666E-03 -6.40690101803E-03 -6.90109268439E-03 -7.43313415867E-03 -8.00588804940E-03 -8.62242852556E-03 -9.28605628857E-03 -1.00003145041E-02 -1.07690057103E-02 -1.15962098568E-02 -1.24863033420E-02 -1.34439793102E-02 -1.44742690984E-02 -1.55825648726E-02 -1.67746437083E-02 -1.80566927557E-02 -1.94353359587E-02 -2.09176620332E-02 -2.25112538053E-02 -2.42242190589E-02 -2.60652225723E-02 -2.80435196407E-02 -3.01689908155E-02 -3.24521778616E-02 -3.49043208861E-02 -3.75373963331E-02 -4.03641559054E-02 -4.33981659871E-02 -4.66538473844E-02 -5.01465151242E-02 -5.38924176456E-02 -5.79087752693E-02 -6.22138170182E-02 -6.68268152402E-02 -7.17681173799E-02 -7.70591734610E-02 -8.27225587995E-02 -8.87819900757E-02 -9.52623335617E-02 -1.02189603785E-01 -1.09590950326E-01 -1.17494630844E-01 -1.25929967443E-01 -1.34927283402E-01 -1.44517817199E-01 -1.54733609417E-01 -1.65607358962E-01 -1.77172243191E-01 -1.89461696840E-01 -2.02509144023E-01 -2.16347676064E-01 -2.31009668814E-01 -2.46526330945E-01 -2.62927174860E-01 -2.80239401592E-01 -2.98487188883E-01 -3.17690873772E-01 -3.37866018059E-01 -3.59022346042E-01 -3.81162545481E-01 -4.04280919278E-01 -4.28361881579E-01 -4.53378288710E-01 -4.79289600319E-01 -5.06039869782E-01 -5.33555563612E-01 -5.61743220576E-01 -5.90486963218E-01 -6.19645886422E-01 -6.49051359070E-01 -6.78504284613E-01 -7.07772387467E-01 -7.36587605930E-01 -7.64643695761E-01 -7.91594173656E-01 -8.17050751430E-01 -8.40582445079E-01 -8.61715565431E-01 -8.79934826290E-01 -8.94685829396E-01 -9.05379196872E-01 -9.11396631643E-01 -9.12099167857E-01 -9.06837839575E-01 -8.94966929317E-01 -8.75859845697E-01 -8.48927531102E-01 -8.13639084079E-01 -7.69544016192E-01 -7.16295241085E-01 -6.53671524102E-01 -5.81597754521E-01 -5.00161069707E-01 -4.09620677878E-01 -3.10409319057E-01 -2.03124865366E-01 -8.85118682710E-02 3.25647995636E-02 1.59148320222E-01 2.90209031043E-01 4.24635827273E-01 5.61173079267E-01 6.98268341602E-01 8.33792415370E-01 9.64601547171E-01 1.08594616151E+00 1.19081725734E+00 1.26950558483E+00 1.30999952324E+00 1.30053973908E+00 1.23639663227E+00 1.13869461738E+00 1.05386681510E+00 9.45213097687E-01 7.99877257888E-01 6.29736313926E-01 4.47356700580E-01 2.69863290693E-01 1.17568373226E-01 1.58118773505E-02 -4.99270616851E-04 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 9 Number of nonzero Dij 1 1 6.21777794108E+00 1 2 2.11253935455E+00 2 2 2.76319666635E-01 3 3 1.61190842154E+00 3 4 -3.27485860812E+00 4 4 -6.47620314097E-01 5 5 7.96612596369E+00 5 6 -1.17416809541E+01 6 6 1.55622240022E+01 8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1.35000000000E+00 2 1.35000000000E+00 3 1.35000000000E+00 4 1.35000000000E+00 5 1.35000000000E+00 1 1 0 i j (l(j)) -2.69720974220E-01 Q_int 0.00000000000E+00 2.11436816408E-17 8.67292960004E-17 2.00133039475E-16 3.64931995874E-16 5.84915139550E-16 8.64094920473E-16 1.20671946155E-15 1.61728540000E-15 2.10055140641E-15 2.66155241645E-15 3.30561461260E-15 4.03837119460E-15 4.86577897971E-15 5.79413587584E-15 6.83009927280E-15 7.98070539946E-15 9.25338969667E-15 1.06560082589E-14 1.21968603997E-14 1.38847123997E-14 1.57288224975E-14 1.77389671894E-14 1.99254689034E-14 2.22992251218E-14 2.48717390237E-14 2.76551517293E-14 3.06622762269E-14 3.39066330703E-14 3.74024879385E-14 4.11648911526E-14 4.52097192533E-14 4.95537187432E-14 5.42145521074E-14 5.92108462290E-14 6.45622433244E-14 7.02894545271E-14 7.64143162576E-14 8.29598495235E-14 8.99503223000E-14 9.74113151508E-14 1.05369790256E-13 1.13854164024E-13 1.22894383468E-13 1.32522006549E-13 1.42770286681E-13 1.53674261619E-13 1.65270846959E-13 1.77598934470E-13 1.90699495534E-13 2.04615689936E-13 2.19392980282E-13 2.35079252352E-13 2.51724941671E-13 2.69383166630E-13 2.88109868497E-13 3.07963958666E-13 3.29007473521E-13 3.51305737298E-13 3.74927533379E-13 3.99945284421E-13 4.26435241802E-13 4.54477684846E-13 4.84157130341E-13 5.15562552872E-13 5.48787616530E-13 5.83930918579E-13 6.21096245703E-13 6.60392843465E-13 7.01935699680E-13 7.45845842396E-13 7.92250653245E-13 8.41284196955E-13 8.93087567850E-13 9.47809254213E-13 1.00560552143E-12 1.06664081488E-12 1.13108818359E-12 1.19912972572E-12 1.27095705697E-12 1.34677180319E-12 1.42678611827E-12 1.51122322877E-12 1.60031800655E-12 1.69431757094E-12 1.79348192185E-12 1.89808460551E-12 2.00841341447E-12 2.12477112363E-12 2.24747626413E-12 2.37686393710E-12 2.51328666926E-12 2.65711531251E-12 2.80873998987E-12 2.96857109001E-12 3.13704031299E-12 3.31460176973E-12 3.50173313810E-12 3.69893687837E-12 3.90674151125E-12 4.12570296154E-12 4.35640597101E-12 4.59946558374E-12 4.85552870794E-12 5.12527575804E-12 5.40942238113E-12 5.70872127216E-12 6.02396408245E-12 6.35598342626E-12 6.70565499046E-12 7.07389975265E-12 7.46168631319E-12 7.87003334709E-12 8.30001218187E-12 8.75274950784E-12 9.22943022760E-12 9.73130045192E-12 1.02596706496E-11 1.08159189588E-11 1.14014946692E-11 1.20179218817E-11 1.26668033577E-11 1.33498245645E-11 1.40687579296E-11 1.48254673131E-11 1.56219127091E-11 1.64601551897E-11 1.73423621020E-11 1.82708125320E-11 1.92479030494E-11 2.02761537474E-11 2.13582145914E-11 2.24968720955E-11 2.36950563403E-11 2.49558483513E-11 2.62824878564E-11 2.76783814414E-11 2.91471111237E-11 3.06924433667E-11 3.23183385567E-11 3.40289609656E-11 3.58286892260E-11 3.77221273431E-11 3.97141162718E-11 4.18097460883E-11 4.40143687858E-11 4.63336117277E-11 4.87733917902E-11 5.13399302312E-11 5.40397683217E-11 5.68797837802E-11 5.98672080495E-11 6.30096444600E-11 6.63150873259E-11 6.97919420197E-11 7.34490460784E-11 7.72956913909E-11 8.13416475254E-11 8.55971862518E-11 9.00731073241E-11 9.47807655841E-11 9.97320994562E-11 1.04939660904E-10 1.10416646924E-10 1.16176932654E-10 1.22235106180E-10 1.28606505131E-10 1.35307255149E-10 1.42354310329E-10 1.49765495745E-10 1.57559552139E-10 1.65756182923E-10 1.74376103575E-10 1.83441093580E-10 1.92974051027E-10 2.02999050014E-10 2.13541400991E-10 2.24627714204E-10 2.36285966387E-10 2.48545570878E-10 2.61437451335E-10 2.74994119224E-10 2.89249755290E-10 3.04240295202E-10 3.20003519590E-10 3.36579148704E-10 3.54008941924E-10 3.72336802375E-10 3.91608886908E-10 4.11873721720E-10 4.33182323907E-10 4.55588329244E-10 4.79148126528E-10 5.03920998804E-10 5.29969271835E-10 5.57358470187E-10 5.86157481319E-10 6.16438728085E-10 6.48278350092E-10 6.81756394344E-10 7.16957015674E-10 7.53968687454E-10 7.92884423102E-10 8.33802008961E-10 8.76824249109E-10 9.22059222731E-10 9.69620554684E-10 1.01962769994E-09 1.07220624263E-09 1.12748821037E-09 1.18561240478E-09 1.24672474890E-09 1.31097865246E-09 1.37853539581E-09 1.44956453364E-09 1.52424431930E-09 1.60276215097E-09 1.68531504065E-09 1.77211010720E-09 1.86336509470E-09 1.95930891735E-09 2.06018223235E-09 2.16623804211E-09 2.27774232741E-09 2.39497471294E-09 2.51822916701E-09 2.64781473718E-09 2.78405632353E-09 2.92729549165E-09 3.07789132726E-09 3.23622133471E-09 3.40268238151E-09 3.57769169131E-09 3.76168788777E-09 3.95513209202E-09 4.15850907631E-09 4.37232847688E-09 4.59712606899E-09 4.83346510732E-09 5.08193773514E-09 5.34316646570E-09 5.61780573957E-09 5.90654356189E-09 6.21010322350E-09 6.52924511035E-09 6.86476860571E-09 7.21751408992E-09 7.58836504259E-09 7.97825025269E-09 8.38814614193E-09 8.81907920725E-09 9.27212858858E-09 9.74842876819E-09 1.02491724086E-08 1.07756133357E-08 1.13290696754E-08 1.19109271503E-08 1.25226425461E-08 1.31657473554E-08 1.38418516083E-08 1.45526479000E-08 1.52999156235E-08 1.60855254213E-08 1.69114438635E-08 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