iterations/neb0_image04_iter64_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 0.209013365887E+04 0.20901E+04 -0.11610E+05 1704 0.105E+03
DAV: 2 -0.139854039217E+03 -0.22300E+04 -0.21414E+04 2136 0.261E+02
DAV: 3 -0.464974381223E+03 -0.32512E+03 -0.32094E+03 1864 0.107E+02
DAV: 4 -0.477693486218E+03 -0.12719E+02 -0.12671E+02 1968 0.226E+01
DAV: 5 -0.478152066178E+03 -0.45858E+00 -0.45834E+00 2144 0.375E+00 0.430E+01
DAV: 6 -0.448554211112E+03 0.29598E+02 -0.14768E+02 2024 0.321E+01 0.374E+01
DAV: 7 -0.453376966678E+03 -0.48228E+01 -0.22385E+02 1920 0.151E+01 0.204E+01
DAV: 8 -0.447289873175E+03 0.60871E+01 -0.89872E+00 1752 0.888E+00 0.128E+01
DAV: 9 -0.446912173624E+03 0.37770E+00 -0.36149E+01 1960 0.129E+01 0.108E+01
DAV: 10 -0.446092584496E+03 0.81959E+00 -0.39810E+00 1832 0.388E+00 0.102E+01
DAV: 11 -0.444730909299E+03 0.13617E+01 -0.16136E+00 2000 0.310E+00 0.595E+00
DAV: 12 -0.444907021967E+03 -0.17611E+00 -0.74303E+00 2160 0.324E+00 0.798E+00
DAV: 13 -0.444536311507E+03 0.37071E+00 -0.17693E+00 2056 0.255E+00 0.505E+00
DAV: 14 -0.444423678706E+03 0.11263E+00 -0.18638E+00 1888 0.140E+00 0.270E+00
DAV: 15 -0.444576613120E+03 -0.15293E+00 -0.60646E-01 1944 0.890E-01 0.863E+00
DAV: 16 -0.444353705355E+03 0.22291E+00 -0.73796E-01 1792 0.481E-01 0.459E+00
DAV: 17 -0.444346094244E+03 0.76111E-02 -0.60850E-01 2256 0.708E-01 0.808E-01
DAV: 18 -0.444444714185E+03 -0.98620E-01 -0.24851E-01 1944 0.753E-01 0.231E+00
DAV: 19 -0.444398314141E+03 0.46400E-01 -0.16700E-01 1944 0.521E-01 0.923E-01
DAV: 20 -0.444404395099E+03 -0.60810E-02 -0.12231E-02 1896 0.191E-01 0.549E-01
DAV: 21 -0.444408564024E+03 -0.41689E-02 -0.33351E-03 1856 0.103E-01 0.524E-01
DAV: 22 -0.444409835705E+03 -0.12717E-02 -0.41881E-03 2000 0.114E-01 0.251E-01
DAV: 23 -0.444412472895E+03 -0.26372E-02 -0.34197E-03 2160 0.111E-01 0.146E-01
DAV: 24 -0.444413712972E+03 -0.12401E-02 -0.63308E-04 1824 0.562E-02 0.154E-01
DAV: 25 -0.444414270544E+03 -0.55757E-03 -0.25527E-04 1824 0.291E-02 0.135E-01
DAV: 26 -0.444414498074E+03 -0.22753E-03 -0.30099E-04 1888 0.338E-02 0.996E-02
DAV: 27 -0.444414808557E+03 -0.31048E-03 -0.14927E-04 1720 0.216E-02 0.732E-02
DAV: 28 -0.444415025296E+03 -0.21674E-03 -0.84653E-05 1480 0.171E-02 0.221E-02
DAV: 29 -0.444415150661E+03 -0.12536E-03 -0.18256E-05 1312 0.996E-03 0.195E-02
DAV: 30 -0.444415218643E+03 -0.67982E-04 -0.56983E-06 1104 0.747E-03 0.258E-02
DAV: 31 -0.444415242832E+03 -0.24189E-04 -0.90414E-06 1056 0.745E-03 0.193E-02
DAV: 32 -0.444415259200E+03 -0.16368E-04 -0.31062E-06 952 0.450E-03 0.608E-03
DAV: 33 -0.444415271673E+03 -0.12473E-04 -0.19829E-06 976 0.322E-03 0.409E-03
DAV: 34 -0.444415275486E+03 -0.38129E-05 -0.71142E-07 936 0.210E-03
1 F= -.44441528E+03 E0= -.44440687E+03 d E =-.252226E-01