iterations/neb0_image03_iter60_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.144689292576E+04 0.14469E+04 -0.44191E+04 330 0.697E+02
DAV: 2 0.223733266717E+03 -0.12232E+04 -0.11470E+04 435 0.163E+02
DAV: 3 -0.362575807207E+03 -0.58631E+03 -0.58316E+03 345 0.114E+02
DAV: 4 -0.433199230241E+03 -0.70623E+02 -0.70368E+02 309 0.509E+01
DAV: 5 -0.434794908242E+03 -0.15957E+01 -0.15930E+01 327 0.783E+00 0.426E+01
DAV: 6 -0.388974194802E+03 0.45821E+02 -0.14781E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385519836542E+03 0.34544E+01 -0.13437E+01 345 0.776E+00 0.104E+01
DAV: 8 -0.384056031937E+03 0.14638E+01 -0.23893E+00 345 0.387E+00 0.436E+00
DAV: 9 -0.383523428724E+03 0.53260E+00 -0.18732E+00 354 0.241E+00 0.143E+00
DAV: 10 -0.383427184538E+03 0.96244E-01 -0.17927E-01 327 0.115E+00 0.939E-01
DAV: 11 -0.383394264811E+03 0.32920E-01 -0.95731E-02 336 0.741E-01 0.712E-01
DAV: 12 -0.383386317367E+03 0.79474E-02 -0.83145E-02 327 0.555E-01 0.917E-01
DAV: 13 -0.383369361060E+03 0.16956E-01 -0.13214E-01 345 0.456E-01 0.731E-01
DAV: 14 -0.383361130154E+03 0.82309E-02 -0.94353E-02 363 0.404E-01 0.491E-01
DAV: 15 -0.383359623949E+03 0.15062E-02 -0.22574E-02 336 0.344E-01 0.585E-01
DAV: 16 -0.383356526325E+03 0.30976E-02 -0.87006E-03 309 0.309E-01 0.320E-01
DAV: 17 -0.383363339252E+03 -0.68129E-02 -0.68454E-03 309 0.244E-01 0.188E-01
DAV: 18 -0.383372591576E+03 -0.92523E-02 -0.34920E-03 291 0.159E-01 0.174E-01
DAV: 19 -0.383384225984E+03 -0.11634E-01 -0.35007E-03 327 0.171E-01 0.206E-01
DAV: 20 -0.383390218667E+03 -0.59927E-02 -0.11231E-03 345 0.113E-01 0.129E-01
DAV: 21 -0.383395571342E+03 -0.53527E-02 -0.59268E-04 309 0.582E-02 0.642E-02
DAV: 22 -0.383399574649E+03 -0.40033E-02 -0.18922E-04 345 0.371E-02 0.494E-02
DAV: 23 -0.383403279670E+03 -0.37050E-02 -0.19207E-04 309 0.351E-02 0.306E-02
DAV: 24 -0.383405863940E+03 -0.25843E-02 -0.18948E-04 309 0.268E-02 0.354E-02
DAV: 25 -0.383406520127E+03 -0.65619E-03 -0.21197E-05 273 0.125E-02 0.285E-02
DAV: 26 -0.383407910946E+03 -0.13908E-02 -0.92818E-05 300 0.193E-02 0.260E-02
DAV: 27 -0.383408167771E+03 -0.25682E-03 -0.10768E-05 246 0.808E-03 0.124E-02
DAV: 28 -0.383408316571E+03 -0.14880E-03 -0.79326E-06 228 0.738E-03 0.657E-03
DAV: 29 -0.383408516914E+03 -0.20034E-03 -0.54085E-06 219 0.539E-03 0.226E-03
DAV: 30 -0.383408632470E+03 -0.11556E-03 -0.43917E-06 228 0.416E-03 0.495E-03
DAV: 31 -0.383408698417E+03 -0.65948E-04 -0.22297E-06 219 0.296E-03 0.422E-03
DAV: 32 -0.383408735774E+03 -0.37357E-04 -0.17027E-06 210 0.283E-03 0.102E-03
DAV: 33 -0.383408746209E+03 -0.10436E-04 -0.81836E-07 228 0.197E-03 0.111E-03
DAV: 34 -0.383408749070E+03 -0.28606E-05 -0.26120E-07 237 0.973E-04
1 F= -.38340875E+03 E0= -.38342521E+03 d E =0.493900E-01