./neb0_image08_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 0.163322437522E+04 0.16332E+04 -0.42283E+04 306 0.696E+02
DAV: 2 0.305923974979E+03 -0.13273E+04 -0.12475E+04 420 0.167E+02
DAV: 3 -0.349195900122E+03 -0.65512E+03 -0.64967E+03 348 0.123E+02
DAV: 4 -0.432833404973E+03 -0.83638E+02 -0.83264E+02 308 0.560E+01
DAV: 5 -0.434838386237E+03 -0.20050E+01 -0.20010E+01 332 0.875E+00 0.427E+01
DAV: 6 -0.388893625707E+03 0.45945E+02 -0.14753E+02 308 0.285E+01 0.208E+01
DAV: 7 -0.385357318366E+03 0.35363E+01 -0.12606E+01 348 0.784E+00 0.104E+01
DAV: 8 -0.383932743145E+03 0.14246E+01 -0.25043E+00 340 0.385E+00 0.420E+00
DAV: 9 -0.383360837659E+03 0.57191E+00 -0.68894E-01 332 0.206E+00 0.995E-01
DAV: 10 -0.383313793896E+03 0.47044E-01 -0.22136E-01 340 0.956E-01 0.728E-01
DAV: 11 -0.383284651992E+03 0.29142E-01 -0.18819E-02 316 0.454E-01 0.511E-01
DAV: 12 -0.383265954200E+03 0.18698E-01 -0.15102E-01 332 0.668E-01 0.819E-01
DAV: 13 -0.383249228365E+03 0.16726E-01 -0.65592E-02 324 0.407E-01 0.262E-01
DAV: 14 -0.383251777068E+03 -0.25487E-02 -0.93498E-03 300 0.294E-01 0.153E-01
DAV: 15 -0.383260895951E+03 -0.91189E-02 -0.59580E-03 316 0.297E-01 0.112E-01
DAV: 16 -0.383270330945E+03 -0.94350E-02 -0.33664E-03 300 0.224E-01 0.839E-02
DAV: 17 -0.383283643396E+03 -0.13312E-01 -0.32082E-03 300 0.202E-01 0.497E-02
DAV: 18 -0.383290267786E+03 -0.66244E-02 -0.13862E-03 324 0.113E-01 0.535E-02
DAV: 19 -0.383294362683E+03 -0.40949E-02 -0.37588E-04 324 0.534E-02 0.349E-02
DAV: 20 -0.383300099481E+03 -0.57368E-02 -0.31370E-04 308 0.505E-02 0.163E-02
DAV: 21 -0.383303195251E+03 -0.30958E-02 -0.26668E-04 316 0.377E-02 0.218E-02
DAV: 22 -0.383305191883E+03 -0.19966E-02 -0.13760E-04 292 0.291E-02 0.106E-02
DAV: 23 -0.383305730999E+03 -0.53912E-03 -0.41449E-05 292 0.157E-02 0.685E-03
DAV: 24 -0.383305902390E+03 -0.17139E-03 -0.37194E-06 244 0.589E-03 0.470E-03
DAV: 25 -0.383306245763E+03 -0.34337E-03 -0.13411E-05 220 0.876E-03 0.339E-03
DAV: 26 -0.383306388304E+03 -0.14254E-03 -0.69280E-06 228 0.625E-03 0.353E-03
DAV: 27 -0.383306454285E+03 -0.65981E-04 -0.42980E-06 220 0.645E-03 0.234E-03
DAV: 28 -0.383306484978E+03 -0.30693E-04 -0.16647E-06 228 0.334E-03 0.192E-03
DAV: 29 -0.383306505360E+03 -0.20382E-04 -0.80151E-07 212 0.229E-03 0.107E-03
DAV: 30 -0.383306529893E+03 -0.24534E-04 -0.15294E-06 220 0.303E-03 0.121E-03
DAV: 31 -0.383306534789E+03 -0.48954E-05 -0.33838E-07 236 0.154E-03
1 F= -.38330653E+03 E0= -.38331519E+03 d E =0.259577E-01