iterations/neb0_image07_iter31_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 0.210259121964E+04 0.21026E+04 -0.11604E+05 1696 0.105E+03
DAV: 2 -0.138510963662E+03 -0.22411E+04 -0.21523E+04 2152 0.262E+02
DAV: 3 -0.464612449896E+03 -0.32610E+03 -0.32129E+03 1880 0.108E+02
DAV: 4 -0.477320821662E+03 -0.12708E+02 -0.12661E+02 1944 0.227E+01
DAV: 5 -0.477799738959E+03 -0.47892E+00 -0.47864E+00 2128 0.384E+00 0.430E+01
DAV: 6 -0.448402253104E+03 0.29397E+02 -0.14799E+02 2032 0.318E+01 0.272E+01
DAV: 7 -0.445724252942E+03 0.26780E+01 -0.24275E+01 1840 0.115E+01 0.125E+01
DAV: 8 -0.445815904299E+03 -0.91651E-01 -0.82572E+00 1984 0.609E+00 0.952E+00
DAV: 9 -0.446718611213E+03 -0.90271E+00 -0.87684E+00 2448 0.711E+00 0.711E+00
DAV: 10 -0.446290439814E+03 0.42817E+00 -0.11673E+00 1856 0.228E+00 0.600E+00
DAV: 11 -0.445357774412E+03 0.93267E+00 -0.10034E+00 2264 0.259E+00 0.399E+00
DAV: 12 -0.445187815018E+03 0.16996E+00 -0.94753E-01 1968 0.165E+00 0.962E-01
DAV: 13 -0.445209902514E+03 -0.22087E-01 -0.62947E-02 1856 0.573E-01 0.895E-01
DAV: 14 -0.445208968651E+03 0.93386E-03 -0.14349E-02 1952 0.256E-01 0.420E-01
DAV: 15 -0.445221975138E+03 -0.13006E-01 -0.19084E-02 2008 0.295E-01 0.995E-01
DAV: 16 -0.445214643234E+03 0.73319E-02 -0.66725E-03 2056 0.352E-01 0.308E-01
DAV: 17 -0.445219381331E+03 -0.47381E-02 -0.89064E-03 1904 0.220E-01 0.688E-01
DAV: 18 -0.445218539375E+03 0.84196E-03 -0.76024E-04 1856 0.585E-02 0.692E-01
DAV: 19 -0.445215673586E+03 0.28658E-02 -0.78083E-04 2376 0.103E-01 0.291E-01
DAV: 20 -0.445217734660E+03 -0.20611E-02 -0.26551E-03 2024 0.151E-01 0.160E-01
DAV: 21 -0.445220375226E+03 -0.26406E-02 -0.12990E-03 1952 0.884E-02 0.215E-01
DAV: 22 -0.445221637639E+03 -0.12624E-02 -0.42442E-04 1976 0.616E-02 0.318E-01
DAV: 23 -0.445221613028E+03 0.24611E-04 -0.69021E-04 2048 0.869E-02 0.104E-01
DAV: 24 -0.445222178972E+03 -0.56594E-03 -0.43239E-04 1872 0.414E-02 0.732E-02
DAV: 25 -0.445222679950E+03 -0.50098E-03 -0.75694E-05 1760 0.200E-02 0.890E-02
DAV: 26 -0.445223187430E+03 -0.50748E-03 -0.82160E-05 1664 0.177E-02 0.821E-02
DAV: 27 -0.445223234258E+03 -0.46828E-04 -0.17014E-05 1320 0.119E-02 0.727E-02
DAV: 28 -0.445223313658E+03 -0.79400E-04 -0.10234E-05 1112 0.844E-03 0.808E-02
DAV: 29 -0.445223339911E+03 -0.26253E-04 -0.53817E-06 1032 0.758E-03 0.830E-02
DAV: 30 -0.445223358081E+03 -0.18170E-04 -0.85733E-06 952 0.866E-03 0.881E-02
DAV: 31 -0.445223373630E+03 -0.15549E-04 -0.21714E-06 968 0.363E-03 0.902E-02
DAV: 32 -0.445223381989E+03 -0.83592E-05 -0.68953E-07 936 0.194E-03
1 F= -.44522338E+03 E0= -.44520968E+03 d E =-.410943E-01