iterations/neb0_image03_iter59_OSZICAR.out output for 39: 512-->524:: F2 + Si-NH-Si on surface slat V5 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.209730220441E+04 0.20973E+04 -0.11599E+05 1696 0.105E+03
DAV: 2 -0.138713202346E+03 -0.22360E+04 -0.21453E+04 2160 0.262E+02
DAV: 3 -0.463624181294E+03 -0.32491E+03 -0.31914E+03 1896 0.108E+02
DAV: 4 -0.476767659671E+03 -0.13143E+02 -0.13097E+02 1960 0.229E+01
DAV: 5 -0.477234211050E+03 -0.46655E+00 -0.46633E+00 2136 0.381E+00 0.432E+01
DAV: 6 -0.453663549775E+03 0.23571E+02 -0.14816E+02 2024 0.319E+01 0.420E+01
DAV: 7 -0.453608532378E+03 0.55017E-01 -0.83003E+01 1808 0.146E+01 0.218E+01
DAV: 8 -0.447059069465E+03 0.65495E+01 -0.98571E+00 1856 0.866E+00 0.137E+01
DAV: 9 -0.447193749791E+03 -0.13468E+00 -0.26221E+01 2008 0.106E+01 0.120E+01
DAV: 10 -0.446345145806E+03 0.84860E+00 -0.32132E+00 1824 0.334E+00 0.109E+01
DAV: 11 -0.445496936556E+03 0.84821E+00 -0.57804E-01 1944 0.202E+00 0.922E+00
DAV: 12 -0.445176768840E+03 0.32017E+00 -0.58253E+00 2096 0.464E+00 0.113E+01
DAV: 13 -0.444405944452E+03 0.77082E+00 -0.11094E+00 1928 0.361E+00 0.566E+00
DAV: 14 -0.444187258911E+03 0.21869E+00 -0.31748E-01 1816 0.110E+00 0.210E+00
DAV: 15 -0.444177447899E+03 0.98110E-02 -0.64280E-02 1864 0.749E-01 0.912E-01
DAV: 16 -0.444211465867E+03 -0.34018E-01 -0.31614E-02 1976 0.509E-01 0.156E+00
DAV: 17 -0.444201740242E+03 0.97256E-02 -0.96990E-03 1888 0.291E-01 0.532E-01
DAV: 18 -0.444207461888E+03 -0.57216E-02 -0.38789E-03 1992 0.157E-01 0.659E-01
DAV: 19 -0.444206343475E+03 0.11184E-02 -0.23378E-03 1936 0.132E-01 0.154E-01
DAV: 20 -0.444209386843E+03 -0.30434E-02 -0.87062E-04 1872 0.795E-02 0.638E-02
DAV: 21 -0.444210336251E+03 -0.94941E-03 -0.32589E-04 1912 0.508E-02 0.108E-01
DAV: 22 -0.444210970400E+03 -0.63415E-03 -0.10107E-04 1792 0.316E-02 0.305E-02
DAV: 23 -0.444213091809E+03 -0.21214E-02 -0.53063E-04 1832 0.504E-02 0.306E-02
DAV: 24 -0.444213182218E+03 -0.90409E-04 -0.72667E-05 1872 0.216E-02 0.497E-02
DAV: 25 -0.444213393094E+03 -0.21088E-03 -0.52330E-05 1712 0.217E-02 0.404E-02
DAV: 26 -0.444213544211E+03 -0.15112E-03 -0.26203E-05 1400 0.140E-02 0.190E-02
DAV: 27 -0.444213667913E+03 -0.12370E-03 -0.17740E-05 1336 0.115E-02 0.124E-02
DAV: 28 -0.444213711571E+03 -0.43658E-04 -0.49383E-06 1088 0.726E-03 0.129E-02
DAV: 29 -0.444213741362E+03 -0.29791E-04 -0.48271E-06 1016 0.627E-03 0.107E-02
DAV: 30 -0.444213755893E+03 -0.14531E-04 -0.12571E-06 936 0.263E-03 0.574E-03
DAV: 31 -0.444213770598E+03 -0.14705E-04 -0.66830E-07 984 0.177E-03 0.201E-03
DAV: 32 -0.444213777582E+03 -0.69840E-05 -0.37132E-07 936 0.151E-03
1 F= -.44421378E+03 E0= -.44420335E+03 d E =-.312951E-01