iterations/neb0_image07_iter16_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 0.150801917670E+04 0.15080E+04 -0.43566E+04 322 0.697E+02
DAV: 2 0.249244642883E+03 -0.12588E+04 -0.11841E+04 428 0.164E+02
DAV: 3 -0.356166072229E+03 -0.60541E+03 -0.60148E+03 348 0.117E+02
DAV: 4 -0.433041080041E+03 -0.76875E+02 -0.76554E+02 316 0.531E+01
DAV: 5 -0.434844702753E+03 -0.18036E+01 -0.18006E+01 332 0.816E+00 0.427E+01
DAV: 6 -0.388796854333E+03 0.46048E+02 -0.14913E+02 324 0.285E+01 0.209E+01
DAV: 7 -0.385271077987E+03 0.35258E+01 -0.12711E+01 340 0.775E+00 0.104E+01
DAV: 8 -0.383849770799E+03 0.14213E+01 -0.24743E+00 332 0.389E+00 0.429E+00
DAV: 9 -0.383306063115E+03 0.54371E+00 -0.81455E-01 324 0.199E+00 0.115E+00
DAV: 10 -0.383250351964E+03 0.55711E-01 -0.36659E-01 340 0.103E+00 0.807E-01
DAV: 11 -0.383222393429E+03 0.27959E-01 -0.33651E-02 316 0.488E-01 0.684E-01
DAV: 12 -0.383221266965E+03 0.11265E-02 -0.32636E-01 388 0.711E-01 0.106E+00
DAV: 13 -0.383198566619E+03 0.22700E-01 -0.22365E-01 308 0.498E-01 0.846E-01
DAV: 14 -0.383191526262E+03 0.70404E-02 -0.41347E-02 348 0.255E-01 0.289E-01
DAV: 15 -0.383196545981E+03 -0.50197E-02 -0.73123E-03 308 0.248E-01 0.296E-01
DAV: 16 -0.383206237230E+03 -0.96912E-02 -0.15399E-02 324 0.247E-01 0.186E-01
DAV: 17 -0.383218071181E+03 -0.11834E-01 -0.43011E-03 300 0.187E-01 0.187E-01
DAV: 18 -0.383226576747E+03 -0.85056E-02 -0.42338E-03 292 0.136E-01 0.116E-01
DAV: 19 -0.383233444234E+03 -0.68675E-02 -0.91317E-04 324 0.774E-02 0.808E-02
DAV: 20 -0.383238492830E+03 -0.50486E-02 -0.57700E-04 308 0.535E-02 0.445E-02
DAV: 21 -0.383245747702E+03 -0.72549E-02 -0.45805E-04 316 0.483E-02 0.229E-02
DAV: 22 -0.383248408498E+03 -0.26608E-02 -0.11923E-04 300 0.260E-02 0.196E-02
DAV: 23 -0.383250109127E+03 -0.17006E-02 -0.86019E-05 316 0.214E-02 0.106E-02
DAV: 24 -0.383251531720E+03 -0.14226E-02 -0.61706E-05 284 0.152E-02 0.619E-03
DAV: 25 -0.383252155648E+03 -0.62393E-03 -0.24071E-05 252 0.940E-03 0.493E-03
DAV: 26 -0.383252603736E+03 -0.44809E-03 -0.21554E-05 252 0.761E-03 0.565E-03
DAV: 27 -0.383252741099E+03 -0.13736E-03 -0.70228E-06 228 0.475E-03 0.224E-03
DAV: 28 -0.383252811026E+03 -0.69927E-04 -0.28206E-06 212 0.327E-03 0.248E-03
DAV: 29 -0.383252844218E+03 -0.33192E-04 -0.14832E-06 220 0.221E-03 0.959E-04
DAV: 30 -0.383252862748E+03 -0.18530E-04 -0.80286E-07 212 0.179E-03 0.970E-04
DAV: 31 -0.383252875084E+03 -0.12336E-04 -0.63775E-07 220 0.168E-03 0.575E-04
DAV: 32 -0.383252879153E+03 -0.40689E-05 -0.20479E-07 228 0.958E-04
1 F= -.38325288E+03 E0= -.38326584E+03 d E =0.388922E-01