iterations/neb0_image07_iter13_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 0.150857968006E+04 0.15086E+04 -0.43571E+04 322 0.697E+02
DAV: 2 0.249470685069E+03 -0.12591E+04 -0.11844E+04 428 0.164E+02
DAV: 3 -0.356235960240E+03 -0.60571E+03 -0.60179E+03 348 0.117E+02
DAV: 4 -0.433129557219E+03 -0.76894E+02 -0.76574E+02 316 0.531E+01
DAV: 5 -0.434933167640E+03 -0.18036E+01 -0.18006E+01 332 0.816E+00 0.427E+01
DAV: 6 -0.388808477863E+03 0.46125E+02 -0.14922E+02 324 0.285E+01 0.209E+01
DAV: 7 -0.385272237908E+03 0.35362E+01 -0.12802E+01 340 0.777E+00 0.104E+01
DAV: 8 -0.383855467401E+03 0.14168E+01 -0.26349E+00 332 0.391E+00 0.429E+00
DAV: 9 -0.383291544125E+03 0.56392E+00 -0.64454E-01 332 0.197E+00 0.104E+00
DAV: 10 -0.383245318066E+03 0.46226E-01 -0.28006E-01 332 0.975E-01 0.776E-01
DAV: 11 -0.383221366170E+03 0.23952E-01 -0.32681E-02 316 0.459E-01 0.615E-01
DAV: 12 -0.383211793568E+03 0.95726E-02 -0.13786E-01 364 0.573E-01 0.872E-01
DAV: 13 -0.383193835687E+03 0.17958E-01 -0.13555E-01 308 0.430E-01 0.369E-01
DAV: 14 -0.383194379366E+03 -0.54368E-03 -0.35864E-02 340 0.318E-01 0.336E-01
DAV: 15 -0.383198650949E+03 -0.42716E-02 -0.22302E-02 348 0.265E-01 0.249E-01
DAV: 16 -0.383204380684E+03 -0.57297E-02 -0.49127E-03 292 0.192E-01 0.130E-01
DAV: 17 -0.383215922039E+03 -0.11541E-01 -0.28011E-03 300 0.134E-01 0.148E-01
DAV: 18 -0.383228305327E+03 -0.12383E-01 -0.26885E-03 292 0.150E-01 0.962E-02
DAV: 19 -0.383235716852E+03 -0.74115E-02 -0.15451E-03 324 0.873E-02 0.526E-02
DAV: 20 -0.383239864047E+03 -0.41472E-02 -0.33281E-04 308 0.368E-02 0.309E-02
DAV: 21 -0.383244904262E+03 -0.50402E-02 -0.26039E-04 308 0.335E-02 0.192E-02
DAV: 22 -0.383248607425E+03 -0.37032E-02 -0.20016E-04 316 0.261E-02 0.130E-02
DAV: 23 -0.383250693789E+03 -0.20864E-02 -0.12072E-04 300 0.221E-02 0.768E-03
DAV: 24 -0.383251534206E+03 -0.84042E-03 -0.38388E-05 268 0.119E-02 0.649E-03
DAV: 25 -0.383251924410E+03 -0.39020E-03 -0.16413E-05 228 0.105E-02 0.280E-03
DAV: 26 -0.383252148016E+03 -0.22361E-03 -0.10584E-05 236 0.682E-03 0.410E-03
DAV: 27 -0.383252200739E+03 -0.52723E-04 -0.20631E-06 236 0.380E-03 0.204E-03
DAV: 28 -0.383252288693E+03 -0.87954E-04 -0.39796E-06 204 0.474E-03 0.210E-03
DAV: 29 -0.383252325696E+03 -0.37003E-04 -0.14873E-06 220 0.259E-03 0.139E-03
DAV: 30 -0.383252341328E+03 -0.15632E-04 -0.93035E-07 228 0.241E-03 0.667E-04
DAV: 31 -0.383252355186E+03 -0.13858E-04 -0.60934E-07 212 0.165E-03 0.674E-04
DAV: 32 -0.383252359045E+03 -0.38590E-05 -0.18539E-07 228 0.902E-04
1 F= -.38325236E+03 E0= -.38326539E+03 d E =0.390908E-01