iterations/neb0_image03_iter26_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 0.144884996571E+04 0.14488E+04 -0.44195E+04 330 0.697E+02
DAV: 2 0.224690805008E+03 -0.12242E+04 -0.11483E+04 435 0.163E+02
DAV: 3 -0.362491090063E+03 -0.58718E+03 -0.58361E+03 345 0.114E+02
DAV: 4 -0.433397755343E+03 -0.70907E+02 -0.70677E+02 309 0.508E+01
DAV: 5 -0.434987721267E+03 -0.15900E+01 -0.15873E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389057276450E+03 0.45930E+02 -0.14794E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385603640666E+03 0.34536E+01 -0.13534E+01 345 0.781E+00 0.104E+01
DAV: 8 -0.384129227131E+03 0.14744E+01 -0.20594E+00 336 0.385E+00 0.432E+00
DAV: 9 -0.383567936075E+03 0.56129E+00 -0.66515E-01 336 0.218E+00 0.121E+00
DAV: 10 -0.383515233811E+03 0.52702E-01 -0.41147E-01 336 0.103E+00 0.101E+00
DAV: 11 -0.383488091618E+03 0.27142E-01 -0.16272E-01 336 0.614E-01 0.955E-01
DAV: 12 -0.383470247625E+03 0.17844E-01 -0.91070E-02 345 0.410E-01 0.553E-01
DAV: 13 -0.383449956977E+03 0.20291E-01 -0.20320E-02 318 0.409E-01 0.508E-01
DAV: 14 -0.383447674340E+03 0.22826E-02 -0.11604E-02 363 0.310E-01 0.389E-01
DAV: 15 -0.383442454515E+03 0.52198E-02 -0.21213E-02 300 0.355E-01 0.261E-01
DAV: 16 -0.383448361320E+03 -0.59068E-02 -0.95106E-03 345 0.322E-01 0.254E-01
DAV: 17 -0.383455547263E+03 -0.71859E-02 -0.49576E-03 282 0.209E-01 0.112E-01
DAV: 18 -0.383466248782E+03 -0.10702E-01 -0.33681E-03 300 0.167E-01 0.109E-01
DAV: 19 -0.383475604924E+03 -0.93561E-02 -0.14191E-03 336 0.107E-01 0.586E-02
DAV: 20 -0.383481019121E+03 -0.54142E-02 -0.41814E-04 327 0.582E-02 0.383E-02
DAV: 21 -0.383488183772E+03 -0.71647E-02 -0.37768E-04 300 0.439E-02 0.382E-02
DAV: 22 -0.383492060010E+03 -0.38762E-02 -0.18263E-04 318 0.288E-02 0.152E-02
DAV: 23 -0.383494471802E+03 -0.24118E-02 -0.10826E-04 291 0.214E-02 0.932E-03
DAV: 24 -0.383496149365E+03 -0.16776E-02 -0.72995E-05 291 0.151E-02 0.104E-02
DAV: 25 -0.383497045419E+03 -0.89605E-03 -0.36868E-05 282 0.124E-02 0.547E-03
DAV: 26 -0.383497420235E+03 -0.37482E-03 -0.12692E-05 246 0.754E-03 0.270E-03
DAV: 27 -0.383497579907E+03 -0.15967E-03 -0.47004E-06 228 0.474E-03 0.201E-03
DAV: 28 -0.383497703075E+03 -0.12317E-03 -0.43249E-06 192 0.456E-03 0.214E-03
DAV: 29 -0.383497745521E+03 -0.42446E-04 -0.17733E-06 219 0.314E-03 0.116E-03
DAV: 30 -0.383497771818E+03 -0.26297E-04 -0.17887E-06 210 0.339E-03 0.139E-03
DAV: 31 -0.383497781632E+03 -0.98145E-05 -0.51558E-07 219 0.206E-03
1 F= -.38349778E+03 E0= -.38351429E+03 d E =0.495388E-01