./iterations/neb0_image08_iter42_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 0.163267127306E+04 0.16327E+04 -0.42279E+04 306 0.696E+02
DAV: 2 0.305870001720E+03 -0.13268E+04 -0.12474E+04 420 0.167E+02
DAV: 3 -0.348988983543E+03 -0.65486E+03 -0.64892E+03 348 0.123E+02
DAV: 4 -0.432742529954E+03 -0.83754E+02 -0.83377E+02 308 0.560E+01
DAV: 5 -0.434753233654E+03 -0.20107E+01 -0.20067E+01 332 0.876E+00 0.426E+01
DAV: 6 -0.388864911111E+03 0.45888E+02 -0.14742E+02 308 0.285E+01 0.208E+01
DAV: 7 -0.385334552178E+03 0.35304E+01 -0.12533E+01 340 0.784E+00 0.103E+01
DAV: 8 -0.383908760135E+03 0.14258E+01 -0.21811E+00 340 0.380E+00 0.418E+00
DAV: 9 -0.383351689316E+03 0.55707E+00 -0.80212E-01 332 0.204E+00 0.121E+00
DAV: 10 -0.383305300529E+03 0.46389E-01 -0.43368E-01 356 0.101E+00 0.769E-01
DAV: 11 -0.383274102223E+03 0.31198E-01 -0.24031E-02 316 0.471E-01 0.599E-01
DAV: 12 -0.383243009513E+03 0.31093E-01 -0.74371E-02 348 0.671E-01 0.507E-01
DAV: 13 -0.383232990531E+03 0.10019E-01 -0.89977E-02 324 0.540E-01 0.327E-01
DAV: 14 -0.383232948079E+03 0.42452E-04 -0.15390E-02 308 0.322E-01 0.180E-01
DAV: 15 -0.383240312669E+03 -0.73646E-02 -0.98726E-03 300 0.264E-01 0.228E-01
DAV: 16 -0.383249208520E+03 -0.88959E-02 -0.92183E-03 324 0.241E-01 0.108E-01
DAV: 17 -0.383256307183E+03 -0.70987E-02 -0.28329E-03 340 0.191E-01 0.105E-01
DAV: 18 -0.383263087234E+03 -0.67801E-02 -0.32600E-03 404 0.202E-01 0.140E-01
DAV: 19 -0.383264124170E+03 -0.10369E-02 -0.15139E-03 324 0.962E-02 0.928E-02
DAV: 20 -0.383267616815E+03 -0.34926E-02 -0.73651E-04 340 0.896E-02 0.649E-02
DAV: 21 -0.383276842767E+03 -0.92260E-02 -0.11908E-02 348 0.233E-01 0.188E-01
DAV: 22 -0.383275613951E+03 0.12288E-02 -0.20884E-03 316 0.808E-02 0.131E-01
DAV: 23 -0.383276781831E+03 -0.11679E-02 -0.17137E-04 308 0.276E-02 0.127E-01
DAV: 24 -0.383279345952E+03 -0.25641E-02 -0.15281E-03 324 0.665E-02 0.465E-02
DAV: 25 -0.383280665560E+03 -0.13196E-02 -0.48357E-04 356 0.441E-02 0.358E-02
DAV: 26 -0.383281545700E+03 -0.88014E-03 -0.98198E-05 332 0.261E-02 0.273E-02
DAV: 27 -0.383282687632E+03 -0.11419E-02 -0.12695E-04 292 0.230E-02 0.183E-02
DAV: 28 -0.383284158652E+03 -0.14710E-02 -0.12578E-04 292 0.230E-02 0.993E-03
DAV: 29 -0.383284628078E+03 -0.46943E-03 -0.38659E-05 276 0.137E-02 0.463E-03
DAV: 30 -0.383284831455E+03 -0.20338E-03 -0.67249E-06 220 0.692E-03 0.353E-03
DAV: 31 -0.383285065672E+03 -0.23422E-03 -0.14594E-05 228 0.776E-03 0.335E-03
DAV: 32 -0.383285137055E+03 -0.71383E-04 -0.49247E-06 220 0.551E-03 0.206E-03
DAV: 33 -0.383285182329E+03 -0.45274E-04 -0.25017E-06 220 0.434E-03 0.206E-03
DAV: 34 -0.383285205930E+03 -0.23601E-04 -0.22528E-06 212 0.385E-03 0.146E-03
DAV: 35 -0.383285217347E+03 -0.11417E-04 -0.13897E-06 228 0.315E-03 0.104E-03
DAV: 36 -0.383285225791E+03 -0.84432E-05 -0.12521E-06 212 0.350E-03
1 F= -.38328523E+03 E0= -.38330398E+03 d E =0.562505E-01