iterations/neb0_image01_iter16_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 0.208795645299E+04 0.20880E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.141217421716E+03 -0.22292E+04 -0.21416E+04 2144 0.261E+02
DAV: 3 -0.461830668537E+03 -0.32061E+03 -0.31672E+03 1904 0.107E+02
DAV: 4 -0.475599070893E+03 -0.13768E+02 -0.13602E+02 1976 0.228E+01
DAV: 5 -0.476059711066E+03 -0.46064E+00 -0.46034E+00 2108 0.375E+00 0.434E+01
DAV: 6 -0.457039704071E+03 0.19020E+02 -0.19595E+02 2032 0.317E+01 0.412E+01
DAV: 7 -0.452190596895E+03 0.48491E+01 -0.42433E+01 1772 0.139E+01 0.220E+01
DAV: 8 -0.445415583739E+03 0.67750E+01 -0.98699E+00 1840 0.799E+00 0.106E+01
DAV: 9 -0.445053950321E+03 0.36163E+00 -0.60101E+00 1912 0.570E+00 0.903E+00
DAV: 10 -0.444375486302E+03 0.67846E+00 -0.10490E+00 1904 0.231E+00 0.408E+00
DAV: 11 -0.444826410793E+03 -0.45092E+00 -0.37765E+00 1976 0.157E+00 0.122E+01
DAV: 12 -0.444271444286E+03 0.55497E+00 -0.32161E+00 1968 0.149E+00 0.359E+00
DAV: 13 -0.444373405016E+03 -0.10196E+00 -0.35979E-01 1856 0.632E-01 0.439E-01
DAV: 14 -0.444373881640E+03 -0.47662E-03 -0.15267E-02 1960 0.361E-01 0.306E-01
DAV: 15 -0.444379149336E+03 -0.52677E-02 -0.11604E-02 1952 0.261E-01 0.431E-01
DAV: 16 -0.444380654329E+03 -0.15050E-02 -0.18511E-03 1976 0.119E-01 0.101E-01
DAV: 17 -0.444383013964E+03 -0.23596E-02 -0.72632E-04 2072 0.763E-02 0.104E-01
DAV: 18 -0.444384691580E+03 -0.16776E-02 -0.39110E-04 1976 0.512E-02 0.135E-01
DAV: 19 -0.444387233029E+03 -0.25414E-02 -0.41140E-04 1880 0.494E-02 0.491E-02
DAV: 20 -0.444388385201E+03 -0.11522E-02 -0.16664E-04 1872 0.246E-02 0.275E-02
DAV: 21 -0.444388859847E+03 -0.47465E-03 -0.64447E-05 1816 0.205E-02 0.247E-02
DAV: 22 -0.444389582723E+03 -0.72288E-03 -0.92147E-05 1632 0.211E-02 0.444E-02
DAV: 23 -0.444389797535E+03 -0.21481E-03 -0.51913E-05 1648 0.154E-02 0.464E-02
DAV: 24 -0.444389821534E+03 -0.23999E-04 -0.11551E-05 1152 0.888E-03 0.276E-02
DAV: 25 -0.444389877796E+03 -0.56262E-04 -0.60493E-06 1208 0.646E-03 0.136E-02
DAV: 26 -0.444389929199E+03 -0.51403E-04 -0.50645E-06 1176 0.664E-03 0.302E-03
DAV: 27 -0.444389952603E+03 -0.23404E-04 -0.25625E-06 1008 0.346E-03 0.487E-03
DAV: 28 -0.444389963043E+03 -0.10440E-04 -0.97153E-07 968 0.277E-03 0.286E-03
DAV: 29 -0.444389969066E+03 -0.60236E-05 -0.71150E-07 952 0.237E-03
1 F= -.44438997E+03 E0= -.44438369E+03 d E =-.188281E-01