iterations/neb0_image08_iter42_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 0.209403522108E+04 0.20940E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.143134150687E+03 -0.22372E+04 -0.21465E+04 2168 0.262E+02
DAV: 3 -0.465824814774E+03 -0.32269E+03 -0.31939E+03 1816 0.108E+02
DAV: 4 -0.478690215914E+03 -0.12865E+02 -0.12813E+02 1984 0.228E+01
DAV: 5 -0.479157502317E+03 -0.46729E+00 -0.46708E+00 2152 0.382E+00 0.427E+01
DAV: 6 -0.447399557362E+03 0.31758E+02 -0.14434E+02 2008 0.310E+01 0.271E+01
DAV: 7 -0.448211622562E+03 -0.81207E+00 -0.61588E+01 1856 0.111E+01 0.137E+01
DAV: 8 -0.446602742099E+03 0.16089E+01 -0.85854E+00 2448 0.793E+00 0.100E+01
DAV: 9 -0.446337928756E+03 0.26481E+00 -0.16167E+01 2112 0.455E+00 0.556E+00
DAV: 10 -0.445754220592E+03 0.58371E+00 -0.87662E-01 2224 0.440E+00 0.513E+00
DAV: 11 -0.445650407269E+03 0.10381E+00 -0.31817E+00 1952 0.202E+00 0.398E+00
DAV: 12 -0.445582715743E+03 0.67692E-01 -0.15459E+00 1960 0.113E+00 0.239E+00
DAV: 13 -0.445602651294E+03 -0.19936E-01 -0.85992E-01 1960 0.722E-01 0.274E+00
DAV: 14 -0.445559010972E+03 0.43640E-01 -0.28654E-01 1928 0.609E-01 0.383E-01
DAV: 15 -0.445570250717E+03 -0.11240E-01 -0.24633E-02 2000 0.286E-01 0.881E-01
DAV: 16 -0.445566425363E+03 0.38254E-02 -0.14300E-02 1896 0.160E-01 0.175E-01
DAV: 17 -0.445568500051E+03 -0.20747E-02 -0.23088E-03 1960 0.104E-01 0.720E-02
DAV: 18 -0.445571093671E+03 -0.25936E-02 -0.50546E-04 1928 0.701E-02 0.108E-01
DAV: 19 -0.445573243756E+03 -0.21501E-02 -0.67090E-04 2184 0.735E-02 0.156E-01
DAV: 20 -0.445574717055E+03 -0.14733E-02 -0.11625E-03 2016 0.674E-02 0.207E-01
DAV: 21 -0.445575826117E+03 -0.11091E-02 -0.92096E-04 1976 0.562E-02 0.112E-01
DAV: 22 -0.445576320705E+03 -0.49459E-03 -0.23019E-04 1856 0.397E-02 0.590E-02
DAV: 23 -0.445576602135E+03 -0.28143E-03 -0.72252E-05 1688 0.206E-02 0.588E-02
DAV: 24 -0.445576760003E+03 -0.15787E-03 -0.10983E-04 1856 0.264E-02 0.154E-02
DAV: 25 -0.445576819311E+03 -0.59308E-04 -0.15204E-05 1024 0.998E-03 0.808E-03
DAV: 26 -0.445576892829E+03 -0.73518E-04 -0.74508E-06 1096 0.595E-03 0.266E-02
DAV: 27 -0.445576930019E+03 -0.37190E-04 -0.50017E-06 1008 0.539E-03 0.505E-03
DAV: 28 -0.445576962016E+03 -0.31997E-04 -0.33860E-06 1056 0.345E-03 0.670E-03
DAV: 29 -0.445576969487E+03 -0.74705E-05 -0.85630E-07 936 0.223E-03
1 F= -.44557697E+03 E0= -.44555118E+03 d E =-.773812E-01