iterations/neb0_image07_iter21_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.150689697087E+04 0.15069E+04 -0.43560E+04 322 0.697E+02
DAV: 2 0.248524144670E+03 -0.12584E+04 -0.11841E+04 428 0.164E+02
DAV: 3 -0.359320599662E+03 -0.60784E+03 -0.60379E+03 356 0.117E+02
DAV: 4 -0.433088988047E+03 -0.73768E+02 -0.73456E+02 316 0.513E+01
DAV: 5 -0.434784298147E+03 -0.16953E+01 -0.16924E+01 340 0.788E+00 0.427E+01
DAV: 6 -0.388815155084E+03 0.45969E+02 -0.14995E+02 316 0.286E+01 0.209E+01
DAV: 7 -0.385304467438E+03 0.35107E+01 -0.12450E+01 332 0.771E+00 0.104E+01
DAV: 8 -0.383891125464E+03 0.14133E+01 -0.26687E+00 332 0.391E+00 0.432E+00
DAV: 9 -0.383338229527E+03 0.55290E+00 -0.76140E-01 332 0.199E+00 0.122E+00
DAV: 10 -0.383286789463E+03 0.51440E-01 -0.52893E-01 340 0.105E+00 0.776E-01
DAV: 11 -0.383261668088E+03 0.25121E-01 -0.32418E-02 316 0.482E-01 0.618E-01
DAV: 12 -0.383240479088E+03 0.21189E-01 -0.12202E-01 364 0.659E-01 0.812E-01
DAV: 13 -0.383230229968E+03 0.10249E-01 -0.71673E-02 340 0.408E-01 0.466E-01
DAV: 14 -0.383228659045E+03 0.15709E-02 -0.20213E-02 292 0.276E-01 0.324E-01
DAV: 15 -0.383232390521E+03 -0.37315E-02 -0.66722E-03 316 0.202E-01 0.269E-01
DAV: 16 -0.383243315976E+03 -0.10925E-01 -0.18703E-02 316 0.264E-01 0.217E-01
DAV: 17 -0.383253968402E+03 -0.10652E-01 -0.46476E-03 308 0.206E-01 0.234E-01
DAV: 18 -0.383261038010E+03 -0.70696E-02 -0.15166E-03 292 0.114E-01 0.674E-02
DAV: 19 -0.383268478470E+03 -0.74405E-02 -0.11241E-03 300 0.773E-02 0.960E-02
DAV: 20 -0.383273920793E+03 -0.54423E-02 -0.46909E-04 308 0.600E-02 0.655E-02
DAV: 21 -0.383278724912E+03 -0.48041E-02 -0.30863E-04 324 0.490E-02 0.201E-02
DAV: 22 -0.383282863679E+03 -0.41388E-02 -0.27318E-04 324 0.332E-02 0.344E-02
DAV: 23 -0.383284265631E+03 -0.14020E-02 -0.55827E-05 308 0.196E-02 0.107E-02
DAV: 24 -0.383285733694E+03 -0.14681E-02 -0.84278E-05 300 0.189E-02 0.940E-03
DAV: 25 -0.383286204412E+03 -0.47072E-03 -0.14192E-05 228 0.101E-02 0.541E-03
DAV: 26 -0.383286551905E+03 -0.34749E-03 -0.23377E-05 244 0.876E-03 0.510E-03
DAV: 27 -0.383286637677E+03 -0.85772E-04 -0.37120E-06 236 0.664E-03 0.371E-03
DAV: 28 -0.383286742135E+03 -0.10446E-03 -0.57390E-06 204 0.540E-03 0.380E-03
DAV: 29 -0.383286791066E+03 -0.48931E-04 -0.17469E-06 228 0.363E-03 0.175E-03
DAV: 30 -0.383286824385E+03 -0.33319E-04 -0.36074E-06 212 0.491E-03 0.283E-03
DAV: 31 -0.383286838142E+03 -0.13757E-04 -0.79638E-07 228 0.236E-03 0.230E-03
DAV: 32 -0.383286845355E+03 -0.72128E-05 -0.38858E-07 220 0.145E-03
1 F= -.38328685E+03 E0= -.38329997E+03 d E =0.393674E-01