iterations/neb0_image01_iter52_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 0.208822718699E+04 0.20882E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.141263061831E+03 -0.22295E+04 -0.21420E+04 2144 0.261E+02
DAV: 3 -0.461839318457E+03 -0.32058E+03 -0.31696E+03 1896 0.107E+02
DAV: 4 -0.475353530549E+03 -0.13514E+02 -0.13289E+02 1968 0.227E+01
DAV: 5 -0.475845296686E+03 -0.49177E+00 -0.49148E+00 2096 0.381E+00 0.435E+01
DAV: 6 -0.458625497716E+03 0.17220E+02 -0.23963E+02 2048 0.318E+01 0.411E+01
DAV: 7 -0.449995057272E+03 0.86304E+01 -0.41735E+01 1772 0.139E+01 0.199E+01
DAV: 8 -0.445485640732E+03 0.45094E+01 -0.82831E+00 1792 0.701E+00 0.115E+01
DAV: 9 -0.446650870592E+03 -0.11652E+01 -0.26400E+01 2116 0.815E+00 0.100E+01
DAV: 10 -0.446126217610E+03 0.52465E+00 -0.15522E+00 1832 0.229E+00 0.910E+00
DAV: 11 -0.444941465928E+03 0.11848E+01 -0.17201E+00 2008 0.239E+00 0.586E+00
DAV: 12 -0.444772699312E+03 0.16877E+00 -0.59564E+00 2040 0.271E+00 0.122E+01
DAV: 13 -0.444546852195E+03 0.22585E+00 -0.10586E+01 1960 0.234E+00 0.381E+00
DAV: 14 -0.444545454729E+03 0.13975E-02 -0.12469E-01 1864 0.719E-01 0.348E+00
DAV: 15 -0.444400959521E+03 0.14450E+00 -0.22136E-02 1984 0.514E-01 0.165E+00
DAV: 16 -0.444396054769E+03 0.49048E-02 -0.21649E-02 1920 0.402E-01 0.500E-01
DAV: 17 -0.444412963695E+03 -0.16909E-01 -0.14155E-02 1984 0.312E-01 0.305E-01
DAV: 18 -0.444419744472E+03 -0.67808E-02 -0.34877E-03 1832 0.155E-01 0.446E-01
DAV: 19 -0.444418614752E+03 0.11297E-02 -0.12387E-03 1952 0.841E-02 0.188E-01
DAV: 20 -0.444419394965E+03 -0.78021E-03 -0.49092E-04 2000 0.547E-02 0.582E-02
DAV: 21 -0.444421506882E+03 -0.21119E-02 -0.40943E-04 1952 0.639E-02 0.252E-01
DAV: 22 -0.444420767241E+03 0.73964E-03 -0.15710E-04 1952 0.481E-02 0.392E-02
DAV: 23 -0.444421657710E+03 -0.89047E-03 -0.22954E-04 1944 0.387E-02 0.204E-02
DAV: 24 -0.444422000992E+03 -0.34328E-03 -0.42720E-05 1744 0.158E-02 0.215E-02
DAV: 25 -0.444422408531E+03 -0.40754E-03 -0.45399E-05 1632 0.159E-02 0.122E-02
DAV: 26 -0.444422691897E+03 -0.28337E-03 -0.39672E-05 1472 0.109E-02 0.811E-03
DAV: 27 -0.444422730994E+03 -0.39098E-04 -0.67974E-06 1184 0.699E-03 0.861E-03
DAV: 28 -0.444422758504E+03 -0.27509E-04 -0.24914E-06 1040 0.387E-03 0.484E-03
DAV: 29 -0.444422793104E+03 -0.34601E-04 -0.40285E-06 1160 0.455E-03 0.371E-03
DAV: 30 -0.444422795243E+03 -0.21385E-05 -0.55053E-07 928 0.236E-03
1 F= -.44442280E+03 E0= -.44441592E+03 d E =-.206248E-01