Generated using ld1 code (trou) Author: P. Giannozzi Generation date: 2001 Info: Oxygen BLYP 2s2 2p4 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 2S 0 0 2.00 1.31000000000 0.00000000000 0.00000000000 2P 0 1 4.00 1.31000000000 0.00000000000 0.00000000000 0 Version Number O 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 285 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 4.19328284878E-05 4.40827705785E-05 4.63429425574E-05 4.87189960316E-05 5.12168723725E-05 5.38428175720E-05 5.66033978608E-05 5.95055161278E-05 6.25564291801E-05 6.57637658895E-05 6.91355462685E-05 7.26802015242E-05 7.64065951412E-05 8.03240450444E-05 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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 4.50662283680E-01 2S 0 2.00 Wavefunction 6.02267680000E-05 6.33146610000E-05 6.65608730000E-05 6.99735220000E-05 7.35611410000E-05 7.73327010000E-05 8.12976340000E-05 8.54658530000E-05 8.98477810000E-05 9.44543750000E-05 9.92971540000E-05 1.04388230000E-04 1.09740330000E-04 1.15366830000E-04 1.21281820000E-04 1.27500070000E-04 1.34037140000E-04 1.40909370000E-04 1.48133950000E-04 1.55728940000E-04 1.63713330000E-04 1.72107090000E-04 1.80931210000E-04 1.90207750000E-04 1.99959910000E-04 2.10212080000E-04 2.20989880000E-04 2.32320270000E-04 2.44231590000E-04 2.56753610000E-04 2.69917650000E-04 2.83756620000E-04 2.98305130000E-04 3.13599570000E-04 3.29678160000E-04 3.46581120000E-04 3.64350710000E-04 3.83031370000E-04 4.02669810000E-04 4.23315130000E-04 4.45018960000E-04 4.67835570000E-04 4.91822010000E-04 5.17038260000E-04 5.43547380000E-04 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8.93836870000E-03 9.39664020000E-03 9.87840640000E-03 1.03848720000E-02 1.09173020000E-02 1.14770290000E-02 1.20654510000E-02 1.26840390000E-02 1.33343400000E-02 1.40179780000E-02 1.47366620000E-02 1.54921890000E-02 1.62864470000E-02 1.71214200000E-02 1.79991950000E-02 1.89219640000E-02 1.98920340000E-02 2.09118270000E-02 2.19838920000E-02 2.31109050000E-02 2.42956800000E-02 2.55411770000E-02 2.68505040000E-02 2.82269300000E-02 2.96738900000E-02 3.11949940000E-02 3.27940370000E-02 3.44750070000E-02 3.62420940000E-02 3.80997030000E-02 4.00524630000E-02 4.21052380000E-02 4.42631370000E-02 4.65315320000E-02 4.89160640000E-02 5.14226610000E-02 5.40575500000E-02 5.68272720000E-02 5.97386990000E-02 6.27990470000E-02 6.60158940000E-02 6.93971990000E-02 7.29513170000E-02 7.66870190000E-02 8.06135100000E-02 8.47404550000E-02 8.90779890000E-02 9.36367480000E-02 9.84278860000E-02 1.03463100000E-01 1.08754640000E-01 1.14315370000E-01 1.20158730000E-01 1.26298820000E-01 1.32750400000E-01 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6.51645620000E-01 6.05283930000E-01 5.58381280000E-01 5.11512830000E-01 4.65219880000E-01 4.20000720000E-01 3.76302710000E-01 3.34515900000E-01 2.94968270000E-01 2.57922750000E-01 2.23575940000E-01 1.92058740000E-01 1.63438680000E-01 1.37723930000E-01 1.14868680000E-01 9.47797450000E-02 7.73240020000E-02 6.23362270000E-02 4.96270370000E-02 3.89904890000E-02 3.02110590000E-02 2.30698800000E-02 1.73502870000E-02 1.28428640000E-02 9.35009200000E-03 6.69044460000E-03 4.70152060000E-03 3.24187010000E-03 2.19143640000E-03 1.45082670000E-03 9.39744170000E-04 5.94896720000E-04 3.67634930000E-04 2.21520610000E-04 1.29982330000E-04 7.41733420000E-05 4.11048460000E-05 2.20889370000E-05 1.14923410000E-05 5.77950300000E-06 2.80437540000E-06 1.31033560000E-06 5.88429340000E-07 2.53372310000E-07 1.04324730000E-07 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 2P 1 4.00 Wavefunction 8.63639410000E-09 9.54469160000E-09 1.05485160000E-08 1.16579130000E-08 1.28839860000E-08 1.42390070000E-08 1.57365360000E-08 1.73915620000E-08 1.92206480000E-08 2.12421020000E-08 2.34761530000E-08 2.59451620000E-08 2.86738380000E-08 3.16894920000E-08 3.50223050000E-08 3.87056330000E-08 4.27763390000E-08 4.72751660000E-08 5.22471390000E-08 5.77420180000E-08 6.38147990000E-08 7.05262600000E-08 7.79435710000E-08 8.61409680000E-08 9.52004920000E-08 1.05212810000E-07 1.16278140000E-07 1.28507220000E-07 1.42022440000E-07 1.56959070000E-07 1.73466600000E-07 1.91710240000E-07 2.11872580000E-07 2.34155410000E-07 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