iterations/neb0_image04_iter34_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 0.144939270942E+04 0.14494E+04 -0.44204E+04 330 0.697E+02
DAV: 2 0.224851133644E+03 -0.12245E+04 -0.11493E+04 435 0.163E+02
DAV: 3 -0.362628799755E+03 -0.58748E+03 -0.58426E+03 345 0.114E+02
DAV: 4 -0.433350263171E+03 -0.70721E+02 -0.70473E+02 309 0.508E+01
DAV: 5 -0.434944234230E+03 -0.15940E+01 -0.15914E+01 318 0.784E+00 0.426E+01
DAV: 6 -0.389041593447E+03 0.45903E+02 -0.14779E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385581667406E+03 0.34599E+01 -0.13402E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.384118345728E+03 0.14633E+01 -0.22741E+00 327 0.387E+00 0.435E+00
DAV: 9 -0.383577618601E+03 0.54073E+00 -0.15471E+00 336 0.238E+00 0.129E+00
DAV: 10 -0.383500320133E+03 0.77298E-01 -0.20210E-01 327 0.113E+00 0.942E-01
DAV: 11 -0.383478461020E+03 0.21859E-01 -0.18637E-01 336 0.654E-01 0.968E-01
DAV: 12 -0.383468614618E+03 0.98464E-02 -0.35614E-01 354 0.670E-01 0.103E+00
DAV: 13 -0.383447597617E+03 0.21017E-01 -0.18420E-01 363 0.540E-01 0.776E-01
DAV: 14 -0.383434216822E+03 0.13381E-01 -0.82343E-02 354 0.406E-01 0.599E-01
DAV: 15 -0.383427498998E+03 0.67178E-02 -0.28796E-02 318 0.460E-01 0.408E-01
DAV: 16 -0.383429517221E+03 -0.20182E-02 -0.18658E-02 327 0.266E-01 0.169E-01
DAV: 17 -0.383435550200E+03 -0.60330E-02 -0.26823E-03 282 0.154E-01 0.147E-01
DAV: 18 -0.383446484135E+03 -0.10934E-01 -0.24707E-03 291 0.163E-01 0.749E-02
DAV: 19 -0.383456066103E+03 -0.95820E-02 -0.18357E-03 318 0.134E-01 0.569E-02
DAV: 20 -0.383464568988E+03 -0.85029E-02 -0.90740E-04 327 0.905E-02 0.443E-02
DAV: 21 -0.383468159706E+03 -0.35907E-02 -0.20691E-04 327 0.394E-02 0.406E-02
DAV: 22 -0.383473127987E+03 -0.49683E-02 -0.29588E-04 309 0.422E-02 0.235E-02
DAV: 23 -0.383475078740E+03 -0.19508E-02 -0.58444E-05 318 0.187E-02 0.206E-02
DAV: 24 -0.383477759063E+03 -0.26803E-02 -0.17084E-04 291 0.284E-02 0.152E-02
DAV: 25 -0.383478949625E+03 -0.11906E-02 -0.54891E-05 300 0.154E-02 0.159E-02
DAV: 26 -0.383479299817E+03 -0.35019E-03 -0.11204E-05 237 0.891E-03 0.630E-03
DAV: 27 -0.383479740292E+03 -0.44048E-03 -0.22063E-05 246 0.101E-02 0.535E-03
DAV: 28 -0.383479945321E+03 -0.20503E-03 -0.45920E-06 228 0.565E-03 0.299E-03
DAV: 29 -0.383480051247E+03 -0.10593E-03 -0.48913E-06 228 0.493E-03 0.265E-03
DAV: 30 -0.383480090882E+03 -0.39635E-04 -0.15243E-06 228 0.310E-03 0.161E-03
DAV: 31 -0.383480132704E+03 -0.41821E-04 -0.15337E-06 201 0.259E-03 0.160E-03
DAV: 32 -0.383480153703E+03 -0.20999E-04 -0.75655E-07 228 0.198E-03 0.715E-04
DAV: 33 -0.383480167158E+03 -0.13455E-04 -0.56544E-07 210 0.164E-03 0.609E-04
DAV: 34 -0.383480173959E+03 -0.68014E-05 -0.28082E-07 228 0.105E-03
1 F= -.38348017E+03 E0= -.38349691E+03 d E =0.502012E-01