Generated using ld1 code (trou) Author: P. Giannozzi Generation date: 1998? Info: Sulfur BLYP 3s2 3p4, 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 3S 0 0 2.00 0.00000000000 0.00000000000 0.00000000000 3P 0 1 4.00 0.00000000000 0.00000000000 0.00000000000 0 Version Number S 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 299 Number of points in mesh 2 1 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 3S 0 2.00 3P 1 4.00 2.09664142439E-05 2.20413852893E-05 2.31714712787E-05 2.43594980158E-05 2.56084361862E-05 2.69214087860E-05 2.83016989304E-05 2.97527580639E-05 3.12782145900E-05 3.28818829448E-05 3.45677731342E-05 3.63401007621E-05 3.82032975706E-05 4.01620225222E-05 4.22211734496E-05 4.43858993027E-05 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0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 1 Number of nonzero Dij 1 1 3.20249759297E+00 3S 0 2.00 Wavefunction 7.31182810000E-06 7.68671350000E-06 8.08081970000E-06 8.49513220000E-06 8.93068700000E-06 9.38857320000E-06 9.86993580000E-06 1.03759780000E-05 1.09079660000E-05 1.14672300000E-05 1.20551670000E-05 1.26732490000E-05 1.33230200000E-05 1.40061060000E-05 1.47242150000E-05 1.54791420000E-05 1.62727740000E-05 1.71070970000E-05 1.79841970000E-05 1.89062670000E-05 1.98756120000E-05 2.08946570000E-05 2.19659490000E-05 2.30921670000E-05 2.42761280000E-05 2.55207920000E-05 2.68292710000E-05 2.82048380000E-05 2.96509310000E-05 3.11711670000E-05 3.27693470000E-05 3.44494680000E-05 3.62157300000E-05 3.80725500000E-05 4.00245720000E-05 4.20766760000E-05 4.42339940000E-05 4.65019200000E-05 4.88861240000E-05 5.13925700000E-05 5.40275240000E-05 5.67975750000E-05 5.97096490000E-05 6.27710290000E-05 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1.03225610000E-03 1.08518210000E-03 1.14082180000E-03 1.19931450000E-03 1.26080640000E-03 1.32545130000E-03 1.39341100000E-03 1.46485540000E-03 1.53996330000E-03 1.61892260000E-03 1.70193090000E-03 1.78919570000E-03 1.88093550000E-03 1.97737980000E-03 2.07877010000E-03 2.18536000000E-03 2.29741640000E-03 2.41521970000E-03 2.53906490000E-03 2.66926210000E-03 2.80613730000E-03 2.95003340000E-03 3.10131080000E-03 3.26034860000E-03 3.42754530000E-03 3.60332010000E-03 3.78811360000E-03 3.98238930000E-03 4.18663470000E-03 4.40136230000E-03 4.62711120000E-03 4.86444850000E-03 5.11397050000E-03 5.37630470000E-03 5.65211090000E-03 5.94208350000E-03 6.24695280000E-03 6.56748740000E-03 6.90449610000E-03 7.25883000000E-03 7.63138480000E-03 8.02310350000E-03 8.43497870000E-03 8.86805570000E-03 9.32343530000E-03 9.80227670000E-03 1.03058010000E-02 1.08352960000E-02 1.13921180000E-02 1.19776960000E-02 1.25935390000E-02 1.32412380000E-02 1.39224720000E-02 1.46390120000E-02 1.53927300000E-02 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4.03941240000E-01 4.38798370000E-01 4.76441180000E-01 5.16644440000E-01 5.58957660000E-01 6.02652030000E-01 6.46684690000E-01 6.89701030000E-01 7.30097600000E-01 7.66161950000E-01 7.96284440000E-01 8.19198240000E-01 8.34154100000E-01 8.40910590000E-01 8.39536380000E-01 8.30264260000E-01 8.13510990000E-01 7.89853760000E-01 7.60001670000E-01 7.24769190000E-01 6.85046970000E-01 6.41771870000E-01 5.95897500000E-01 5.48366430000E-01 5.00084350000E-01 4.51898140000E-01 4.04577220000E-01 3.58798980000E-01 3.15138420000E-01 2.74062030000E-01 2.35925640000E-01 2.00976190000E-01 1.69356950000E-01 1.41115680000E-01 1.16215330000E-01 9.45463750000E-02 7.59402750000E-02 6.01831030000E-02 4.70287200000E-02 3.62108510000E-02 2.74537070000E-02 2.04811620000E-02 1.50247720000E-02 1.08308660000E-02 7.66660820000E-03 5.32453510000E-03 3.62510000000E-03 2.41718780000E-03 1.57695520000E-03 1.00551630000E-03 6.25946670000E-04 3.79975500000E-04 2.24650660000E-04 1.29189650000E-04 7.21634990000E-05 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