iterations/neb0_image02_iter15_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 0.161788527954E+04 0.16179E+04 -0.42272E+04 306 0.697E+02
DAV: 2 0.296739286580E+03 -0.13211E+04 -0.12439E+04 420 0.168E+02
DAV: 3 -0.358009812872E+03 -0.65475E+03 -0.65104E+03 364 0.123E+02
DAV: 4 -0.433480584904E+03 -0.75471E+02 -0.75157E+02 316 0.520E+01
DAV: 5 -0.435192126248E+03 -0.17115E+01 -0.17088E+01 332 0.797E+00 0.427E+01
DAV: 6 -0.389125568099E+03 0.46067E+02 -0.15033E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385606637457E+03 0.35189E+01 -0.12430E+01 340 0.769E+00 0.104E+01
DAV: 8 -0.384154078340E+03 0.14526E+01 -0.22809E+00 332 0.379E+00 0.428E+00
DAV: 9 -0.383578433884E+03 0.57564E+00 -0.61571E-01 324 0.192E+00 0.965E-01
DAV: 10 -0.383528947210E+03 0.49487E-01 -0.15009E-01 332 0.947E-01 0.832E-01
DAV: 11 -0.383514400311E+03 0.14547E-01 -0.72096E-02 332 0.455E-01 0.722E-01
DAV: 12 -0.383496753984E+03 0.17646E-01 -0.91515E-02 308 0.388E-01 0.534E-01
DAV: 13 -0.383487435742E+03 0.93182E-02 -0.87022E-02 308 0.407E-01 0.586E-01
DAV: 14 -0.383483636117E+03 0.37996E-02 -0.36287E-02 340 0.244E-01 0.202E-01
DAV: 15 -0.383486626828E+03 -0.29907E-02 -0.67433E-03 308 0.248E-01 0.164E-01
DAV: 16 -0.383498814221E+03 -0.12187E-01 -0.70036E-03 316 0.212E-01 0.115E-01
DAV: 17 -0.383510634884E+03 -0.11821E-01 -0.25894E-03 292 0.163E-01 0.991E-02
DAV: 18 -0.383521158103E+03 -0.10523E-01 -0.26311E-03 308 0.138E-01 0.100E-01
DAV: 19 -0.383524924523E+03 -0.37664E-02 -0.10326E-03 364 0.890E-02 0.921E-02
DAV: 20 -0.383527744956E+03 -0.28204E-02 -0.31717E-04 316 0.515E-02 0.632E-02
DAV: 21 -0.383535502057E+03 -0.77571E-02 -0.20891E-03 364 0.108E-01 0.854E-02
DAV: 22 -0.383534588258E+03 0.91380E-03 -0.88213E-04 292 0.477E-02 0.431E-02
DAV: 23 -0.383536373089E+03 -0.17848E-02 -0.91336E-05 292 0.216E-02 0.336E-02
DAV: 24 -0.383540434034E+03 -0.40609E-02 -0.41871E-04 292 0.407E-02 0.495E-02
DAV: 25 -0.383541582622E+03 -0.11486E-02 -0.50291E-04 316 0.329E-02 0.153E-02
DAV: 26 -0.383542094105E+03 -0.51148E-03 -0.45744E-05 292 0.142E-02 0.166E-02
DAV: 27 -0.383542745381E+03 -0.65128E-03 -0.33692E-05 292 0.124E-02 0.648E-03
DAV: 28 -0.383543189443E+03 -0.44406E-03 -0.13028E-05 228 0.786E-03 0.617E-03
DAV: 29 -0.383543423332E+03 -0.23389E-03 -0.12018E-05 220 0.651E-03 0.316E-03
DAV: 30 -0.383543572155E+03 -0.14882E-03 -0.65910E-06 228 0.483E-03 0.419E-03
DAV: 31 -0.383543662289E+03 -0.90135E-04 -0.56006E-06 220 0.494E-03 0.184E-03
DAV: 32 -0.383543697312E+03 -0.35022E-04 -0.24749E-06 228 0.295E-03 0.129E-03
DAV: 33 -0.383543702344E+03 -0.50323E-05 -0.53796E-07 244 0.160E-03
1 F= -.38354370E+03 E0= -.38356097E+03 d E =0.517910E-01