./neb0_image09_OSZICAR.out output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.163632925983E+04 0.16363E+04 -0.42294E+04 306 0.696E+02
DAV: 2 0.312847534202E+03 -0.13235E+04 -0.12452E+04 420 0.167E+02
DAV: 3 -0.352636673341E+03 -0.66548E+03 -0.66046E+03 364 0.124E+02
DAV: 4 -0.430996980904E+03 -0.78360E+02 -0.78066E+02 308 0.535E+01
DAV: 5 -0.432810855023E+03 -0.18139E+01 -0.18098E+01 332 0.840E+00 0.427E+01
DAV: 6 -0.386499933844E+03 0.46311E+02 -0.14910E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.382991870609E+03 0.35081E+01 -0.13380E+01 348 0.814E+00 0.104E+01
DAV: 8 -0.381586147835E+03 0.14057E+01 -0.27405E+00 332 0.402E+00 0.428E+00
DAV: 9 -0.380999826616E+03 0.58632E+00 -0.67382E-01 332 0.211E+00 0.991E-01
DAV: 10 -0.380943327173E+03 0.56499E-01 -0.18672E-01 348 0.106E+00 0.835E-01
DAV: 11 -0.380931006201E+03 0.12321E-01 -0.11216E-01 348 0.537E-01 0.779E-01
DAV: 12 -0.380905564051E+03 0.25442E-01 -0.63505E-02 324 0.450E-01 0.463E-01
DAV: 13 -0.380888780951E+03 0.16783E-01 -0.53779E-02 308 0.486E-01 0.438E-01
DAV: 14 -0.380887201756E+03 0.15792E-02 -0.34768E-02 340 0.293E-01 0.205E-01
DAV: 15 -0.380889141248E+03 -0.19395E-02 -0.67324E-03 300 0.329E-01 0.162E-01
DAV: 16 -0.380903098130E+03 -0.13957E-01 -0.77955E-03 300 0.302E-01 0.991E-02
DAV: 17 -0.380912500622E+03 -0.94025E-02 -0.50314E-03 340 0.241E-01 0.863E-02
DAV: 18 -0.380920338600E+03 -0.78380E-02 -0.18171E-03 324 0.144E-01 0.636E-02
DAV: 19 -0.380925600495E+03 -0.52619E-02 -0.46949E-04 340 0.707E-02 0.387E-02
DAV: 20 -0.380932424595E+03 -0.68241E-02 -0.70952E-04 300 0.728E-02 0.394E-02
DAV: 21 -0.380934963548E+03 -0.25390E-02 -0.24245E-04 332 0.491E-02 0.211E-02
DAV: 22 -0.380936778345E+03 -0.18148E-02 -0.21533E-04 348 0.421E-02 0.187E-02
DAV: 23 -0.380938357754E+03 -0.15794E-02 -0.75975E-05 308 0.244E-02 0.820E-03
DAV: 24 -0.380939276470E+03 -0.91872E-03 -0.55320E-05 284 0.177E-02 0.600E-03
DAV: 25 -0.380939633329E+03 -0.35686E-03 -0.16302E-05 244 0.105E-02 0.381E-03
DAV: 26 -0.380939889840E+03 -0.25651E-03 -0.10589E-05 228 0.741E-03 0.316E-03
DAV: 27 -0.380940007742E+03 -0.11790E-03 -0.51356E-06 228 0.462E-03 0.157E-03
DAV: 28 -0.380940085411E+03 -0.77669E-04 -0.35696E-06 212 0.401E-03 0.126E-03
DAV: 29 -0.380940114758E+03 -0.29346E-04 -0.16445E-06 228 0.258E-03 0.102E-03
DAV: 30 -0.380940128136E+03 -0.13378E-04 -0.85765E-07 220 0.207E-03 0.554E-04
DAV: 31 -0.380940139230E+03 -0.11094E-04 -0.56204E-07 220 0.128E-03 0.346E-04
DAV: 32 -0.380940142605E+03 -0.33745E-05 -0.20293E-07 228 0.810E-04
1 F= -.38094014E+03 E0= -.38095275E+03 d E =0.378113E-01