iterations/neb0_image05_iter6_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 0.161966086916E+04 0.16197E+04 -0.42283E+04 306 0.697E+02
DAV: 2 0.300149612973E+03 -0.13195E+04 -0.12415E+04 420 0.168E+02
DAV: 3 -0.358348941771E+03 -0.65850E+03 -0.65495E+03 364 0.123E+02
DAV: 4 -0.433343157443E+03 -0.74994E+02 -0.74717E+02 308 0.528E+01
DAV: 5 -0.435009284132E+03 -0.16661E+01 -0.16634E+01 332 0.807E+00 0.426E+01
DAV: 6 -0.389010828019E+03 0.45998E+02 -0.14968E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.385508504397E+03 0.35023E+01 -0.12498E+01 340 0.770E+00 0.104E+01
DAV: 8 -0.384073782134E+03 0.14347E+01 -0.23842E+00 332 0.383E+00 0.429E+00
DAV: 9 -0.383517281382E+03 0.55650E+00 -0.71675E-01 324 0.195E+00 0.119E+00
DAV: 10 -0.383473714388E+03 0.43567E-01 -0.56364E-01 348 0.107E+00 0.788E-01
DAV: 11 -0.383448476908E+03 0.25237E-01 -0.31812E-02 324 0.490E-01 0.622E-01
DAV: 12 -0.383426544667E+03 0.21932E-01 -0.97819E-02 364 0.619E-01 0.704E-01
DAV: 13 -0.383416572785E+03 0.99719E-02 -0.61143E-02 348 0.387E-01 0.342E-01
DAV: 14 -0.383415297207E+03 0.12756E-02 -0.17377E-02 300 0.266E-01 0.352E-01
DAV: 15 -0.383419246223E+03 -0.39490E-02 -0.18828E-02 308 0.287E-01 0.203E-01
DAV: 16 -0.383430727671E+03 -0.11481E-01 -0.76045E-03 300 0.265E-01 0.305E-01
DAV: 17 -0.383435156118E+03 -0.44284E-02 -0.32747E-03 316 0.140E-01 0.112E-01
DAV: 18 -0.383444226226E+03 -0.90701E-02 -0.11973E-03 284 0.976E-02 0.256E-01
DAV: 19 -0.383454241646E+03 -0.10015E-01 -0.17534E-03 308 0.115E-01 0.839E-02
DAV: 20 -0.383459183865E+03 -0.49422E-02 -0.69057E-04 308 0.721E-02 0.500E-02
DAV: 21 -0.383462854335E+03 -0.36705E-02 -0.43165E-04 308 0.542E-02 0.239E-02
DAV: 22 -0.383467235727E+03 -0.43814E-02 -0.21567E-04 316 0.299E-02 0.238E-02
DAV: 23 -0.383469808521E+03 -0.25728E-02 -0.12195E-04 292 0.196E-02 0.133E-02
DAV: 24 -0.383471057808E+03 -0.12493E-02 -0.54769E-05 292 0.144E-02 0.785E-03
DAV: 25 -0.383471813709E+03 -0.75590E-03 -0.33140E-05 268 0.120E-02 0.492E-03
DAV: 26 -0.383472092864E+03 -0.27915E-03 -0.10027E-05 228 0.796E-03 0.523E-03
DAV: 27 -0.383472280843E+03 -0.18798E-03 -0.83388E-06 204 0.564E-03 0.406E-03
DAV: 28 -0.383472341116E+03 -0.60273E-04 -0.23442E-06 236 0.334E-03 0.225E-03
DAV: 29 -0.383472392650E+03 -0.51534E-04 -0.31063E-06 204 0.472E-03 0.204E-03
DAV: 30 -0.383472411158E+03 -0.18508E-04 -0.10190E-06 228 0.242E-03 0.117E-03
DAV: 31 -0.383472420581E+03 -0.94226E-05 -0.47575E-07 228 0.156E-03
1 F= -.38347242E+03 E0= -.38348537E+03 d E =0.388552E-01