iterations/neb0_image08_iter59_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 0.210302093071E+04 0.21030E+04 -0.11604E+05 1696 0.105E+03
DAV: 2 -0.141815543509E+03 -0.22448E+04 -0.21547E+04 2168 0.262E+02
DAV: 3 -0.466136724381E+03 -0.32432E+03 -0.32100E+03 1824 0.108E+02
DAV: 4 -0.478943591265E+03 -0.12807E+02 -0.12754E+02 1984 0.228E+01
DAV: 5 -0.479414670220E+03 -0.47108E+00 -0.47086E+00 2128 0.383E+00 0.427E+01
DAV: 6 -0.447539573384E+03 0.31875E+02 -0.14383E+02 2000 0.311E+01 0.271E+01
DAV: 7 -0.448390681001E+03 -0.85111E+00 -0.60447E+01 1872 0.109E+01 0.137E+01
DAV: 8 -0.446840500874E+03 0.15502E+01 -0.86217E+00 2504 0.796E+00 0.100E+01
DAV: 9 -0.446487689053E+03 0.35281E+00 -0.15119E+01 2080 0.447E+00 0.554E+00
DAV: 10 -0.445982220044E+03 0.50547E+00 -0.88599E-01 2192 0.429E+00 0.548E+00
DAV: 11 -0.445831925542E+03 0.15029E+00 -0.34909E+00 1896 0.203E+00 0.405E+00
DAV: 12 -0.445761676868E+03 0.70249E-01 -0.14656E+00 1928 0.112E+00 0.230E+00
DAV: 13 -0.445774139912E+03 -0.12463E-01 -0.67800E-01 1968 0.664E-01 0.240E+00
DAV: 14 -0.445743511450E+03 0.30628E-01 -0.28778E-01 2000 0.582E-01 0.642E-01
DAV: 15 -0.445748884928E+03 -0.53735E-02 -0.11991E-02 1920 0.248E-01 0.454E-01
DAV: 16 -0.445748811009E+03 0.73919E-04 -0.34783E-03 1936 0.113E-01 0.217E-01
DAV: 17 -0.445750589408E+03 -0.17784E-02 -0.18601E-03 1968 0.933E-02 0.125E-01
DAV: 18 -0.445753014451E+03 -0.24250E-02 -0.36864E-04 1912 0.615E-02 0.836E-02
DAV: 19 -0.445755426887E+03 -0.24124E-02 -0.70102E-04 2000 0.717E-02 0.213E-01
DAV: 20 -0.445756326925E+03 -0.90004E-03 -0.65888E-04 2032 0.651E-02 0.143E-01
DAV: 21 -0.445757592169E+03 -0.12652E-02 -0.31121E-04 1768 0.376E-02 0.407E-02
DAV: 22 -0.445757967758E+03 -0.37559E-03 -0.11259E-04 1840 0.269E-02 0.143E-02
DAV: 23 -0.445758192530E+03 -0.22477E-03 -0.59058E-05 1712 0.197E-02 0.154E-02
DAV: 24 -0.445758326193E+03 -0.13366E-03 -0.35086E-05 1568 0.164E-02 0.771E-03
DAV: 25 -0.445758386213E+03 -0.60020E-04 -0.81050E-06 984 0.706E-03 0.172E-02
DAV: 26 -0.445758448004E+03 -0.61791E-04 -0.39727E-06 1104 0.544E-03 0.161E-02
DAV: 27 -0.445758483290E+03 -0.35285E-04 -0.31593E-06 1008 0.505E-03 0.317E-03
DAV: 28 -0.445758503248E+03 -0.19959E-04 -0.21075E-06 936 0.337E-03 0.103E-02
DAV: 29 -0.445758509801E+03 -0.65524E-05 -0.81399E-07 960 0.211E-03
1 F= -.44575851E+03 E0= -.44573206E+03 d E =-.793587E-01