iterations/neb0_image08_iter10_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 0.151191947118E+04 0.15119E+04 -0.43581E+04 322 0.697E+02
DAV: 2 0.253771095517E+03 -0.12581E+04 -0.11800E+04 420 0.164E+02
DAV: 3 -0.357772491211E+03 -0.61154E+03 -0.60724E+03 356 0.117E+02
DAV: 4 -0.433117843588E+03 -0.75345E+02 -0.75008E+02 308 0.517E+01
DAV: 5 -0.434846300121E+03 -0.17285E+01 -0.17253E+01 332 0.797E+00 0.429E+01
DAV: 6 -0.388552128130E+03 0.46294E+02 -0.14986E+02 324 0.286E+01 0.209E+01
DAV: 7 -0.385007014259E+03 0.35451E+01 -0.13012E+01 340 0.782E+00 0.104E+01
DAV: 8 -0.383568036078E+03 0.14390E+01 -0.22854E+00 332 0.393E+00 0.425E+00
DAV: 9 -0.383017595682E+03 0.55044E+00 -0.61941E-01 332 0.194E+00 0.967E-01
DAV: 10 -0.382962568447E+03 0.55027E-01 -0.14052E-01 340 0.945E-01 0.727E-01
DAV: 11 -0.382941858679E+03 0.20710E-01 -0.27864E-02 356 0.481E-01 0.497E-01
DAV: 12 -0.382927597013E+03 0.14262E-01 -0.41542E-02 308 0.389E-01 0.486E-01
DAV: 13 -0.382925403023E+03 0.21940E-02 -0.38497E-02 332 0.286E-01 0.382E-01
DAV: 14 -0.382923373554E+03 0.20295E-02 -0.28357E-02 300 0.368E-01 0.435E-01
DAV: 15 -0.382924967115E+03 -0.15936E-02 -0.64116E-03 308 0.228E-01 0.262E-01
DAV: 16 -0.382933041818E+03 -0.80747E-02 -0.96049E-03 292 0.167E-01 0.110E-01
DAV: 17 -0.382947771486E+03 -0.14730E-01 -0.51311E-03 292 0.220E-01 0.129E-01
DAV: 18 -0.382952520079E+03 -0.47486E-02 -0.29051E-03 332 0.139E-01 0.105E-01
DAV: 19 -0.382954641982E+03 -0.21219E-02 -0.55431E-04 364 0.644E-02 0.101E-01
DAV: 20 -0.382959636800E+03 -0.49948E-02 -0.11396E-03 332 0.964E-02 0.802E-02
DAV: 21 -0.382963011885E+03 -0.33751E-02 -0.77428E-04 308 0.692E-02 0.505E-02
DAV: 22 -0.382966705367E+03 -0.36935E-02 -0.47251E-04 316 0.501E-02 0.409E-02
DAV: 23 -0.382970885371E+03 -0.41800E-02 -0.85287E-04 292 0.590E-02 0.461E-02
DAV: 24 -0.382972476078E+03 -0.15907E-02 -0.25908E-04 308 0.295E-02 0.224E-02
DAV: 25 -0.382974368420E+03 -0.18923E-02 -0.12658E-04 292 0.280E-02 0.273E-02
DAV: 26 -0.382975542285E+03 -0.11739E-02 -0.93662E-05 300 0.204E-02 0.120E-02
DAV: 27 -0.382976213014E+03 -0.67073E-03 -0.67610E-05 284 0.152E-02 0.140E-02
DAV: 28 -0.382976375448E+03 -0.16243E-03 -0.29870E-05 236 0.125E-02 0.712E-03
DAV: 29 -0.382976650077E+03 -0.27463E-03 -0.20152E-05 228 0.904E-03 0.595E-03
DAV: 30 -0.382976665937E+03 -0.15860E-04 -0.29340E-06 244 0.431E-03 0.423E-03
DAV: 31 -0.382976711266E+03 -0.45329E-04 -0.24643E-06 196 0.471E-03 0.190E-03
DAV: 32 -0.382976776459E+03 -0.65193E-04 -0.21940E-06 204 0.309E-03 0.152E-03
DAV: 33 -0.382976811354E+03 -0.34895E-04 -0.13446E-06 228 0.220E-03 0.102E-03
DAV: 34 -0.382976824575E+03 -0.13220E-04 -0.60518E-07 228 0.155E-03 0.140E-03
DAV: 35 -0.382976834020E+03 -0.94454E-05 -0.55112E-07 212 0.153E-03
1 F= -.38297683E+03 E0= -.38299438E+03 d E =0.526307E-01