iterations/neb0_image04_iter44_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 0.208682227457E+04 0.20868E+04 -0.11609E+05 1704 0.105E+03
DAV: 2 -0.142004749791E+03 -0.22288E+04 -0.21407E+04 2136 0.261E+02
DAV: 3 -0.465907163410E+03 -0.32390E+03 -0.32043E+03 1864 0.107E+02
DAV: 4 -0.478244156028E+03 -0.12337E+02 -0.12282E+02 1960 0.223E+01
DAV: 5 -0.478710561503E+03 -0.46641E+00 -0.46616E+00 2136 0.377E+00 0.429E+01
DAV: 6 -0.447657160678E+03 0.31053E+02 -0.14671E+02 2032 0.317E+01 0.375E+01
DAV: 7 -0.454196025413E+03 -0.65389E+01 -0.28784E+02 1920 0.140E+01 0.208E+01
DAV: 8 -0.448117524284E+03 0.60785E+01 -0.88409E+00 1800 0.785E+00 0.126E+01
DAV: 9 -0.446272531704E+03 0.18450E+01 -0.19006E+01 2000 0.117E+01 0.102E+01
DAV: 10 -0.445460528608E+03 0.81200E+00 -0.37698E+00 1864 0.357E+00 0.103E+01
DAV: 11 -0.444489148758E+03 0.97138E+00 -0.13917E+00 2056 0.229E+00 0.506E+00
DAV: 12 -0.444981429792E+03 -0.49228E+00 -0.83635E+00 2184 0.327E+00 0.715E+00
DAV: 13 -0.444403163121E+03 0.57827E+00 -0.84183E-01 2280 0.292E+00 0.617E+00
DAV: 14 -0.444189678601E+03 0.21348E+00 -0.16356E+00 1872 0.111E+00 0.122E+00
DAV: 15 -0.444422680261E+03 -0.23300E+00 -0.14889E+00 1968 0.995E-01 0.684E+00
DAV: 16 -0.444170261325E+03 0.25242E+00 -0.46623E-01 1872 0.699E-01 0.320E+00
DAV: 17 -0.444175514286E+03 -0.52530E-02 -0.26191E-01 1968 0.559E-01 0.586E-01
DAV: 18 -0.444212207707E+03 -0.36693E-01 -0.33514E-02 1936 0.350E-01 0.655E-01
DAV: 19 -0.444215074150E+03 -0.28664E-02 -0.30804E-03 1936 0.146E-01 0.538E-01
DAV: 20 -0.444216029997E+03 -0.95585E-03 -0.10320E-02 1920 0.153E-01 0.121E-01
DAV: 21 -0.444217920525E+03 -0.18905E-02 -0.10091E-03 1848 0.727E-02 0.978E-02
DAV: 22 -0.444220218691E+03 -0.22982E-02 -0.11502E-03 2120 0.809E-02 0.130E-01
DAV: 23 -0.444222740592E+03 -0.25219E-02 -0.70223E-04 1832 0.515E-02 0.114E-01
DAV: 24 -0.444223944515E+03 -0.12039E-02 -0.10279E-03 2000 0.578E-02 0.110E-01
DAV: 25 -0.444224444219E+03 -0.49970E-03 -0.23370E-04 1808 0.350E-02 0.140E-01
DAV: 26 -0.444224708642E+03 -0.26442E-03 -0.25417E-04 1680 0.288E-02 0.407E-02
DAV: 27 -0.444224989068E+03 -0.28043E-03 -0.23909E-04 1840 0.301E-02 0.708E-02
DAV: 28 -0.444225028678E+03 -0.39610E-04 -0.40116E-05 1296 0.161E-02 0.365E-02
DAV: 29 -0.444225084356E+03 -0.55678E-04 -0.24505E-05 1360 0.114E-02 0.111E-02
DAV: 30 -0.444225126804E+03 -0.42447E-04 -0.41916E-06 992 0.513E-03 0.112E-02
DAV: 31 -0.444225160792E+03 -0.33989E-04 -0.87197E-06 1048 0.428E-03 0.137E-02
DAV: 32 -0.444225165281E+03 -0.44883E-05 -0.41581E-06 936 0.445E-03
1 F= -.44422517E+03 E0= -.44420599E+03 d E =-.575137E-01