iterations/neb0_image08_iter14_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 0.151097402830E+04 0.15110E+04 -0.43572E+04 322 0.697E+02
DAV: 2 0.253480794767E+03 -0.12575E+04 -0.11798E+04 420 0.164E+02
DAV: 3 -0.357705676414E+03 -0.61119E+03 -0.60674E+03 356 0.117E+02
DAV: 4 -0.433087040908E+03 -0.75381E+02 -0.75037E+02 316 0.517E+01
DAV: 5 -0.434809349337E+03 -0.17223E+01 -0.17193E+01 332 0.796E+00 0.428E+01
DAV: 6 -0.388605232362E+03 0.46204E+02 -0.14979E+02 316 0.286E+01 0.209E+01
DAV: 7 -0.385049962844E+03 0.35553E+01 -0.12570E+01 340 0.777E+00 0.104E+01
DAV: 8 -0.383619974805E+03 0.14300E+01 -0.23560E+00 332 0.388E+00 0.426E+00
DAV: 9 -0.383089403743E+03 0.53057E+00 -0.91504E-01 332 0.202E+00 0.111E+00
DAV: 10 -0.383023895891E+03 0.65508E-01 -0.19463E-01 340 0.971E-01 0.843E-01
DAV: 11 -0.383000917104E+03 0.22979E-01 -0.42734E-02 308 0.488E-01 0.612E-01
DAV: 12 -0.382986281429E+03 0.14636E-01 -0.17024E-01 308 0.530E-01 0.426E-01
DAV: 13 -0.382979806726E+03 0.64747E-02 -0.12075E-02 316 0.329E-01 0.381E-01
DAV: 14 -0.382979476678E+03 0.33005E-03 -0.33896E-02 308 0.382E-01 0.407E-01
DAV: 15 -0.382980078064E+03 -0.60139E-03 -0.20977E-02 356 0.244E-01 0.171E-01
DAV: 16 -0.382985223100E+03 -0.51450E-02 -0.16848E-03 284 0.105E-01 0.133E-01
DAV: 17 -0.382997607331E+03 -0.12384E-01 -0.45218E-03 292 0.147E-01 0.144E-01
DAV: 18 -0.383009885690E+03 -0.12278E-01 -0.29609E-03 324 0.178E-01 0.283E-01
DAV: 19 -0.383010944919E+03 -0.10592E-02 -0.12702E-03 332 0.105E-01 0.972E-02
DAV: 20 -0.383017033634E+03 -0.60887E-02 -0.47644E-04 300 0.559E-02 0.619E-02
DAV: 21 -0.383024299512E+03 -0.72659E-02 -0.50402E-04 316 0.535E-02 0.971E-02
DAV: 22 -0.383027275395E+03 -0.29759E-02 -0.22611E-04 340 0.396E-02 0.394E-02
DAV: 23 -0.383029424951E+03 -0.21496E-02 -0.11054E-04 308 0.281E-02 0.262E-02
DAV: 24 -0.383031553502E+03 -0.21286E-02 -0.11996E-04 300 0.220E-02 0.958E-03
DAV: 25 -0.383032258587E+03 -0.70509E-03 -0.28316E-05 260 0.115E-02 0.708E-03
DAV: 26 -0.383032645501E+03 -0.38691E-03 -0.14856E-05 236 0.821E-03 0.487E-03
DAV: 27 -0.383032893057E+03 -0.24756E-03 -0.77044E-06 220 0.549E-03 0.552E-03
DAV: 28 -0.383033015074E+03 -0.12202E-03 -0.52020E-06 228 0.504E-03 0.279E-03
DAV: 29 -0.383033097978E+03 -0.82905E-04 -0.37947E-06 204 0.469E-03 0.215E-03
DAV: 30 -0.383033124163E+03 -0.26185E-04 -0.14219E-06 228 0.259E-03 0.130E-03
DAV: 31 -0.383033135542E+03 -0.11379E-04 -0.72556E-07 236 0.213E-03 0.130E-03
DAV: 32 -0.383033155956E+03 -0.20415E-04 -0.74562E-07 212 0.161E-03 0.168E-03
DAV: 33 -0.383033160045E+03 -0.40885E-05 -0.21976E-07 228 0.923E-04
1 F= -.38303316E+03 E0= -.38304621E+03 d E =0.391447E-01