Generated using modified version of ld1 code for metaGGA Author: Xiaofei Wang/Carlo Sbraccia Generation date: 2005 Info: automatically converted from PWSCF format 0 The Pseudo was generated with a Non-Relativistic Calculation nl pn l occ Rcut Rcut US E pseu 2S 0 0 2.00 0.00000000000 0.00000000000 0.00000000000 2P 0 1 4.00 0.00000000000 0.00000000000 0.00000000000 0 Version Number O Element NC Norm - Conserving pseudopotential F Nonlinear Core Correction SLA PW TPSS TPSS META 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 1523 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 3.09844022083E-04 3.12332715762E-04 3.14841398840E-04 3.17370231876E-04 3.19919376715E-04 3.22488996503E-04 3.25079255698E-04 3.27690320075E-04 3.30322356745E-04 3.32975534158E-04 3.35650022119E-04 3.38345991796E-04 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2.17396210610E-08 -4.24256259306E-08 -2.06939070580E-08 4.03658541132E-08 0.00000000000E+00 -1.91848270538E-08 0.00000000000E+00 1.82186120511E-08 0.00000000000E+00 -3.45686080969E-08 -1.68291020472E-08 1.63818499004E-08 -1.59425329031E-08 0.00000000000E+00 1.50876069083E-08 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 -1.23408510346E-08 0.00000000000E+00 -1.16247709810E-08 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 -9.96366372794E-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 6.68403461874E-09 0.00000000000E+00 -6.22743681746E-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 -3.80874351068E-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 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 -5.60170740327E-11 1 Number of nonzero Dij 1 1 4.50923010842E-01 2S 0 2.00 Wavefunction 4.47576370000E-04 4.51171340000E-04 4.54795190000E-04 4.58448150000E-04 4.62130440000E-04 4.65842310000E-04 4.69584000000E-04 4.73355730000E-04 4.77157770000E-04 4.80990340000E-04 4.84853700000E-04 4.88748080000E-04 4.92673750000E-04 4.96630940000E-04 5.00619930000E-04 5.04640950000E-04 5.08694270000E-04 5.12780140000E-04 5.16898840000E-04 5.21050610000E-04 5.25235740000E-04 5.29454470000E-04 5.33707100000E-04 5.37993880000E-04 5.42315090000E-04 5.46671010000E-04 5.51061920000E-04 5.55488100000E-04 5.59949820000E-04 5.64447390000E-04 5.68981080000E-04 5.73551180000E-04 5.78157990000E-04 5.82801810000E-04 5.87482920000E-04 5.92201630000E-04 5.96958250000E-04 6.01753070000E-04 6.06586400000E-04 6.11458550000E-04 6.16369840000E-04 6.21320570000E-04 6.26311070000E-04 6.31341660000E-04 6.36412650000E-04 6.41524370000E-04 6.46677140000E-04 6.51871310000E-04 6.57107200000E-04 6.62385140000E-04 6.67705470000E-04 6.73068540000E-04 6.78474680000E-04 6.83924250000E-04 6.89417580000E-04 6.94955040000E-04 7.00536980000E-04 7.06163750000E-04 7.11835720000E-04 7.17553250000E-04 7.23316690000E-04 7.29126430000E-04 7.34982840000E-04 7.40886280000E-04 7.46837150000E-04 7.52835800000E-04 7.58882650000E-04 7.64978050000E-04 7.71122420000E-04 7.77316140000E-04 7.83559610000E-04 7.89853230000E-04 7.96197400000E-04 8.02592520000E-04 8.09039010000E-04 8.15537280000E-04 8.22087750000E-04 8.28690820000E-04 8.35346940000E-04 8.42056520000E-04 8.48819990000E-04 8.55637780000E-04 8.62510330000E-04 8.69438090000E-04 8.76421490000E-04 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1.37175610000E-03 1.38277410000E-03 1.39388070000E-03 1.40507640000E-03 1.41636210000E-03 1.42773850000E-03 1.43920620000E-03 1.45076600000E-03 1.46241870000E-03 1.47416490000E-03 1.48600560000E-03 1.49794130000E-03 1.50997290000E-03 1.52210110000E-03 1.53432670000E-03 1.54665060000E-03 1.55907340000E-03 1.57159600000E-03 1.58421920000E-03 1.59694380000E-03 1.60977050000E-03 1.62270030000E-03 1.63573400000E-03 1.64887240000E-03 1.66211620000E-03 1.67546650000E-03 1.68892400000E-03 1.70248950000E-03 1.71616410000E-03 1.72994840000E-03 1.74384350000E-03 1.75785020000E-03 1.77196940000E-03 1.78620200000E-03 1.80054890000E-03 1.81501110000E-03 1.82958940000E-03 1.84428480000E-03 1.85909820000E-03 1.87403070000E-03 1.88908300000E-03 1.90425630000E-03 1.91955140000E-03 1.93496940000E-03 1.95051120000E-03 1.96617790000E-03 1.98197040000E-03 1.99788970000E-03 2.01393690000E-03 2.03011300000E-03 2.04641910000E-03 2.06285610000E-03 2.07942510000E-03 2.09612720000E-03 2.11296340000E-03 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7.97319170000E-03 8.03723220000E-03 8.10178700000E-03 8.16686030000E-03 8.23245620000E-03 8.29857900000E-03 8.36523280000E-03 8.43242210000E-03 8.50015090000E-03 8.56842370000E-03 8.63724490000E-03 8.70661880000E-03 8.77655000000E-03 8.84704270000E-03 8.91810170000E-03 8.98973140000E-03 9.06193630000E-03 9.13472130000E-03 9.20809070000E-03 9.28204950000E-03 9.35660230000E-03 9.43175380000E-03 9.50750900000E-03 9.58387250000E-03 9.66084940000E-03 9.73844460000E-03 9.81666290000E-03 9.89550950000E-03 9.97498930000E-03 1.00551080000E-02 1.01358690000E-02 1.02172790000E-02 1.02993440000E-02 1.03820670000E-02 1.04654540000E-02 1.05495120000E-02 1.06342440000E-02 1.07196570000E-02 1.08057560000E-02 1.08925470000E-02 1.09800340000E-02 1.10682240000E-02 1.11571230000E-02 1.12467350000E-02 1.13370680000E-02 1.14281250000E-02 1.15199140000E-02 1.16124400000E-02 1.17057100000E-02 1.17997280000E-02 1.18945020000E-02 1.19900360000E-02 1.20863380000E-02 1.21834130000E-02 1.22812680000E-02 1.23799090000E-02 1.24793420000E-02 1.25795740000E-02 1.26806100000E-02 1.27824590000E-02 1.28851250000E-02 1.29886150000E-02 1.30929370000E-02 1.31980960000E-02 1.33041000000E-02 1.34109560000E-02 1.35186700000E-02 1.36272480000E-02 1.37366990000E-02 1.38470280000E-02 1.39582440000E-02 1.40703530000E-02 1.41833620000E-02 1.42972790000E-02 1.44121110000E-02 1.45278650000E-02 1.46445480000E-02 1.47621690000E-02 1.48807340000E-02 1.50002520000E-02 1.51207290000E-02 1.52421730000E-02 1.53645940000E-02 1.54879970000E-02 1.56123910000E-02 1.57377840000E-02 1.58641840000E-02 1.59916000000E-02 1.61200380000E-02 1.62495080000E-02 1.63800180000E-02 1.65115760000E-02 1.66441900000E-02 1.67778690000E-02 1.69126220000E-02 1.70484570000E-02 1.71853820000E-02 1.73234080000E-02 1.74625410000E-02 1.76027920000E-02 1.77441700000E-02 1.78866820000E-02 1.80303390000E-02 1.81751500000E-02 1.83211240000E-02 1.84682690000E-02 1.86165970000E-02 1.87661150000E-02 1.89168340000E-02 1.90687640000E-02 1.92219130000E-02 1.93762920000E-02 1.95319110000E-02 1.96887800000E-02 1.98469080000E-02 2.00063060000E-02 2.01669840000E-02 2.03289520000E-02 2.04922210000E-02 2.06568000000E-02 2.08227020000E-02 2.09899350000E-02 2.11585110000E-02 2.13284410000E-02 2.14997360000E-02 2.16724060000E-02 2.18464620000E-02 2.20219160000E-02 2.21987780000E-02 2.23770610000E-02 2.25567750000E-02 2.27379320000E-02 2.29205440000E-02 2.31046220000E-02 2.32901780000E-02 2.34772240000E-02 2.36657720000E-02 2.38558340000E-02 2.40474210000E-02 2.42405470000E-02 2.44352240000E-02 2.46314630000E-02 2.48292780000E-02 2.50286810000E-02 2.52296860000E-02 2.54323040000E-02 2.56365480000E-02 2.58424330000E-02 2.60499700000E-02 2.62591740000E-02 2.64700570000E-02 2.66826340000E-02 2.68969170000E-02 2.71129200000E-02 2.73306570000E-02 2.75501420000E-02 2.77713900000E-02 2.79944130000E-02 2.82192270000E-02 2.84458460000E-02 2.86742840000E-02 2.89045560000E-02 2.91366760000E-02 2.93706600000E-02 2.96065220000E-02 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