mirror of
https://github.com/triqs/dft_tools
synced 2024-12-23 04:43:42 +01:00
39 lines
3.3 KiB
Plaintext
39 lines
3.3 KiB
Plaintext
N E dE d eps ncg rms rms(c)
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DAV: 1 0.628996003985E+02 0.62900E+02 -0.57151E+03 544 0.372E+02
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DAV: 2 -0.103472249522E+02 -0.73247E+02 -0.71094E+02 624 0.131E+02
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DAV: 3 -0.112175786114E+02 -0.87035E+00 -0.85838E+00 560 0.138E+01
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DAV: 4 -0.112180199799E+02 -0.44137E-03 -0.43761E-03 640 0.326E-01
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DAV: 5 -0.112180202779E+02 -0.29799E-06 -0.29698E-06 480 0.791E-03
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DAV: 6 -0.112180202850E+02 -0.71782E-08 -0.77256E-08 496 0.132E-03
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DAV: 7 -0.112180202864E+02 -0.13586E-08 -0.60730E-09 336 0.359E-04 0.229E+01
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DAV: 8 -0.971672647823E+01 0.15013E+01 -0.58862E+00 512 0.123E+01 0.308E+00
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DAV: 9 -0.958837661274E+01 0.12835E+00 -0.20229E-01 512 0.200E+00 0.252E+00
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DAV: 10 -0.970244667980E+01 -0.11407E+00 -0.11498E-01 544 0.888E-01 0.137E+00
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DAV: 11 -0.966315469989E+01 0.39292E-01 -0.72512E-03 512 0.331E-01 0.124E+00
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DAV: 12 -0.961806461720E+01 0.45090E-01 -0.35431E-02 544 0.448E-01 0.813E-01
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DAV: 13 -0.964095964665E+01 -0.22895E-01 -0.10793E-03 544 0.153E-01 0.712E-01
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DAV: 14 -0.964453947025E+01 -0.35798E-02 -0.18327E-04 544 0.307E-02 0.729E-01
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DAV: 15 -0.969140856808E+01 -0.46869E-01 -0.12785E-02 576 0.878E-02 0.704E-01
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DAV: 16 -0.965042839930E+01 0.40980E-01 -0.17384E-03 512 0.854E-02 0.754E-01
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DAV: 17 -0.966270503615E+01 -0.12277E-01 -0.28407E-04 560 0.519E-02 0.746E-01
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DAV: 18 -0.964559046013E+01 0.17115E-01 -0.28597E-04 656 0.643E-02 0.769E-01
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DAV: 19 -0.963856641195E+01 0.70240E-02 -0.10589E-04 592 0.331E-02 0.767E-01
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DAV: 20 -0.964027722997E+01 -0.17108E-02 -0.28174E-04 496 0.258E-02 0.829E-01
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DAV: 21 -0.963847107448E+01 0.18062E-02 -0.52199E-05 544 0.150E-02 0.846E-01
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DAV: 22 -0.962440746138E+01 0.14064E-01 -0.71418E-05 544 0.344E-02 0.775E-01
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DAV: 23 -0.962046054325E+01 0.39469E-02 -0.47092E-06 304 0.856E-03 0.751E-01
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DAV: 24 -0.961385833435E+01 0.66022E-02 0.31415E-04 624 0.351E-02 0.726E-01
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DAV: 25 -0.961377923402E+01 0.79100E-04 -0.58938E-05 544 0.223E-02 0.652E-01
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DAV: 26 -0.961362409706E+01 0.15514E-03 -0.13137E-04 512 0.158E-02 0.761E-01
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DAV: 27 -0.960665507562E+01 0.69690E-02 -0.45209E-03 544 0.283E-02 0.668E-01
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DAV: 28 -0.961106173319E+01 -0.44067E-02 -0.62308E-04 512 0.812E-02 0.496E-01
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DAV: 29 -0.963694699382E+01 -0.25885E-01 -0.56907E-03 560 0.480E-02 0.750E-01
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DAV: 30 -0.962041707461E+01 0.16530E-01 0.20550E-04 512 0.637E-02 0.709E-01
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DAV: 31 -0.961595193188E+01 0.44651E-02 -0.28491E-04 560 0.187E-02 0.517E-01
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DAV: 32 -0.962171492847E+01 -0.57630E-02 -0.14799E-03 512 0.331E-02 0.802E-01
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DAV: 33 -0.961635219048E+01 0.53627E-02 -0.80066E-05 512 0.386E-02 0.705E-01
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DAV: 34 -0.961817306397E+01 -0.18209E-02 -0.42534E-06 400 0.102E-02 0.705E-01
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DAV: 35 -0.961833815059E+01 -0.16509E-03 -0.66916E-07 272 0.414E-03 0.711E-01
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DAV: 36 -0.961833597587E+01 0.21747E-05 -0.18998E-08 304 0.667E-04
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1 F= -.96183360E+01 E0= -.96183360E+01 d E =0.000000E+00
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