iterations/neb0_image06_iter25_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 0.162027182271E+04 0.16203E+04 -0.42281E+04 306 0.697E+02
DAV: 2 0.300853249469E+03 -0.13194E+04 -0.12411E+04 420 0.168E+02
DAV: 3 -0.358010367833E+03 -0.65886E+03 -0.65483E+03 364 0.123E+02
DAV: 4 -0.433208156278E+03 -0.75198E+02 -0.74923E+02 308 0.528E+01
DAV: 5 -0.434895788677E+03 -0.16876E+01 -0.16852E+01 348 0.810E+00 0.427E+01
DAV: 6 -0.388923473014E+03 0.45972E+02 -0.15051E+02 316 0.286E+01 0.209E+01
DAV: 7 -0.385441254867E+03 0.34822E+01 -0.12560E+01 332 0.771E+00 0.104E+01
DAV: 8 -0.384023560093E+03 0.14177E+01 -0.27303E+00 332 0.391E+00 0.433E+00
DAV: 9 -0.383452130751E+03 0.57143E+00 -0.61531E-01 332 0.197E+00 0.987E-01
DAV: 10 -0.383396379623E+03 0.55751E-01 -0.13849E-01 324 0.957E-01 0.810E-01
DAV: 11 -0.383380660631E+03 0.15719E-01 -0.36141E-02 316 0.444E-01 0.679E-01
DAV: 12 -0.383366193626E+03 0.14467E-01 -0.77127E-02 332 0.397E-01 0.507E-01
DAV: 13 -0.383354184544E+03 0.12009E-01 -0.57934E-02 308 0.405E-01 0.434E-01
DAV: 14 -0.383353595643E+03 0.58890E-03 -0.32959E-02 348 0.244E-01 0.213E-01
DAV: 15 -0.383356497598E+03 -0.29020E-02 -0.88571E-03 292 0.244E-01 0.162E-01
DAV: 16 -0.383369797231E+03 -0.13300E-01 -0.72645E-03 324 0.231E-01 0.139E-01
DAV: 17 -0.383381186662E+03 -0.11389E-01 -0.39501E-03 300 0.195E-01 0.120E-01
DAV: 18 -0.383390848416E+03 -0.96618E-02 -0.22400E-03 324 0.125E-01 0.953E-02
DAV: 19 -0.383394975664E+03 -0.41272E-02 -0.46635E-04 332 0.542E-02 0.645E-02
DAV: 20 -0.383398620787E+03 -0.36451E-02 -0.46401E-04 316 0.477E-02 0.298E-02
DAV: 21 -0.383404385402E+03 -0.57646E-02 -0.27806E-04 292 0.358E-02 0.176E-02
DAV: 22 -0.383407676719E+03 -0.32913E-02 -0.16132E-04 308 0.243E-02 0.229E-02
DAV: 23 -0.383410222459E+03 -0.25457E-02 -0.18249E-04 292 0.260E-02 0.671E-03
DAV: 24 -0.383411130999E+03 -0.90854E-03 -0.50852E-05 300 0.138E-02 0.566E-03
DAV: 25 -0.383411457956E+03 -0.32696E-03 -0.10084E-05 220 0.802E-03 0.412E-03
DAV: 26 -0.383411671754E+03 -0.21380E-03 -0.81472E-06 212 0.504E-03 0.272E-03
DAV: 27 -0.383411809498E+03 -0.13774E-03 -0.56862E-06 220 0.571E-03 0.208E-03
DAV: 28 -0.383411884588E+03 -0.75090E-04 -0.34676E-06 220 0.415E-03 0.150E-03
DAV: 29 -0.383411896685E+03 -0.12098E-04 -0.12610E-06 236 0.260E-03 0.136E-03
DAV: 30 -0.383411919423E+03 -0.22737E-04 -0.73922E-07 212 0.175E-03 0.676E-04
DAV: 31 -0.383411937331E+03 -0.17908E-04 -0.80236E-07 220 0.168E-03 0.448E-04
DAV: 32 -0.383411942941E+03 -0.56105E-05 -0.22841E-07 228 0.103E-03
1 F= -.38341194E+03 E0= -.38342524E+03 d E =0.399003E-01