iterations/neb0_image05_iter1_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 0.161935129549E+04 0.16194E+04 -0.42281E+04 306 0.697E+02
DAV: 2 0.300023740235E+03 -0.13193E+04 -0.12413E+04 420 0.168E+02
DAV: 3 -0.358306228295E+03 -0.65833E+03 -0.65477E+03 364 0.123E+02
DAV: 4 -0.433295537675E+03 -0.74989E+02 -0.74712E+02 308 0.528E+01
DAV: 5 -0.434963322092E+03 -0.16678E+01 -0.16651E+01 340 0.807E+00 0.426E+01
DAV: 6 -0.389002316007E+03 0.45961E+02 -0.14974E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.385508387630E+03 0.34939E+01 -0.12504E+01 340 0.769E+00 0.104E+01
DAV: 8 -0.384080089293E+03 0.14283E+01 -0.22472E+00 332 0.378E+00 0.426E+00
DAV: 9 -0.383509422515E+03 0.57067E+00 -0.73656E-01 324 0.202E+00 0.104E+00
DAV: 10 -0.383452743067E+03 0.56679E-01 -0.12270E-01 340 0.871E-01 0.744E-01
DAV: 11 -0.383433892648E+03 0.18850E-01 -0.48138E-02 308 0.444E-01 0.596E-01
DAV: 12 -0.383419405172E+03 0.14487E-01 -0.88693E-02 324 0.422E-01 0.440E-01
DAV: 13 -0.383406386579E+03 0.13019E-01 -0.20160E-02 308 0.367E-01 0.219E-01
DAV: 14 -0.383411227978E+03 -0.48414E-02 -0.16537E-02 300 0.351E-01 0.429E-01
DAV: 15 -0.383414038698E+03 -0.28107E-02 -0.64464E-03 324 0.226E-01 0.173E-01
DAV: 16 -0.383423076652E+03 -0.90380E-02 -0.24197E-03 268 0.129E-01 0.914E-02
DAV: 17 -0.383437623755E+03 -0.14547E-01 -0.36221E-03 292 0.136E-01 0.918E-02
DAV: 18 -0.383446904156E+03 -0.92804E-02 -0.16486E-03 316 0.108E-01 0.474E-02
DAV: 19 -0.383454728046E+03 -0.78239E-02 -0.59807E-04 308 0.569E-02 0.349E-02
DAV: 20 -0.383462239851E+03 -0.75118E-02 -0.56462E-04 308 0.486E-02 0.227E-02
DAV: 21 -0.383464390502E+03 -0.21507E-02 -0.10042E-04 308 0.215E-02 0.165E-02
DAV: 22 -0.383466196075E+03 -0.18056E-02 -0.10533E-04 292 0.207E-02 0.738E-03
DAV: 23 -0.383466939798E+03 -0.74372E-03 -0.27319E-05 268 0.103E-02 0.875E-03
DAV: 24 -0.383467428578E+03 -0.48878E-03 -0.19453E-05 228 0.990E-03 0.317E-03
DAV: 25 -0.383467610713E+03 -0.18214E-03 -0.76223E-06 228 0.591E-03 0.232E-03
DAV: 26 -0.383467748474E+03 -0.13776E-03 -0.45244E-06 204 0.453E-03 0.147E-03
DAV: 27 -0.383467806840E+03 -0.58366E-04 -0.24660E-06 220 0.302E-03 0.143E-03
DAV: 28 -0.383467836966E+03 -0.30126E-04 -0.11884E-06 220 0.280E-03 0.101E-03
DAV: 29 -0.383467861266E+03 -0.24300E-04 -0.12086E-06 220 0.194E-03 0.101E-03
DAV: 30 -0.383467864694E+03 -0.34282E-05 -0.25808E-07 228 0.118E-03
1 F= -.38346786E+03 E0= -.38348069E+03 d E =0.384816E-01