iterations/neb0_image01_iter74_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.144686777785E+04 0.14469E+04 -0.44190E+04 330 0.697E+02
DAV: 2 0.224106628632E+03 -0.12228E+04 -0.11457E+04 435 0.163E+02
DAV: 3 -0.363015274894E+03 -0.58712E+03 -0.58368E+03 345 0.114E+02
DAV: 4 -0.433465152051E+03 -0.70450E+02 -0.70177E+02 318 0.508E+01
DAV: 5 -0.435039200505E+03 -0.15740E+01 -0.15715E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389076683641E+03 0.45963E+02 -0.14806E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385616868767E+03 0.34598E+01 -0.13750E+01 345 0.782E+00 0.104E+01
DAV: 8 -0.384137137557E+03 0.14797E+01 -0.21600E+00 327 0.385E+00 0.436E+00
DAV: 9 -0.383592953106E+03 0.54418E+00 -0.14879E+00 336 0.239E+00 0.150E+00
DAV: 10 -0.383536389310E+03 0.56564E-01 -0.66011E-01 318 0.125E+00 0.114E+00
DAV: 11 -0.383492725699E+03 0.43664E-01 -0.19557E-01 345 0.717E-01 0.945E-01
DAV: 12 -0.383476040867E+03 0.16685E-01 -0.89719E-02 318 0.535E-01 0.660E-01
DAV: 13 -0.383458170514E+03 0.17870E-01 -0.17682E-02 318 0.403E-01 0.560E-01
DAV: 14 -0.383448171255E+03 0.99993E-02 -0.48845E-02 336 0.453E-01 0.610E-01
DAV: 15 -0.383446801533E+03 0.13697E-02 -0.66752E-02 336 0.359E-01 0.644E-01
DAV: 16 -0.383445348726E+03 0.14528E-02 -0.86954E-03 372 0.301E-01 0.288E-01
DAV: 17 -0.383448167677E+03 -0.28190E-02 -0.53989E-03 291 0.225E-01 0.156E-01
DAV: 18 -0.383458739235E+03 -0.10572E-01 -0.62830E-03 309 0.197E-01 0.176E-01
DAV: 19 -0.383468624860E+03 -0.98856E-02 -0.23879E-03 300 0.161E-01 0.985E-02
DAV: 20 -0.383475634701E+03 -0.70098E-02 -0.18313E-03 327 0.121E-01 0.719E-02
DAV: 21 -0.383481528380E+03 -0.58937E-02 -0.58767E-04 354 0.666E-02 0.812E-02
DAV: 22 -0.383487835006E+03 -0.63066E-02 -0.34545E-04 309 0.475E-02 0.239E-02
DAV: 23 -0.383491998270E+03 -0.41633E-02 -0.23011E-04 309 0.338E-02 0.258E-02
DAV: 24 -0.383493975540E+03 -0.19773E-02 -0.71811E-05 300 0.168E-02 0.173E-02
DAV: 25 -0.383496339631E+03 -0.23641E-02 -0.15060E-04 291 0.225E-02 0.944E-03
DAV: 26 -0.383496910939E+03 -0.57131E-03 -0.22857E-05 264 0.951E-03 0.887E-03
DAV: 27 -0.383497234471E+03 -0.32353E-03 -0.87754E-06 219 0.671E-03 0.498E-03
DAV: 28 -0.383497469031E+03 -0.23456E-03 -0.11745E-05 237 0.705E-03 0.389E-03
DAV: 29 -0.383497538734E+03 -0.69702E-04 -0.26323E-06 228 0.504E-03 0.291E-03
DAV: 30 -0.383497582230E+03 -0.43496E-04 -0.24120E-06 192 0.395E-03 0.263E-03
DAV: 31 -0.383497595276E+03 -0.13046E-04 -0.60389E-07 228 0.187E-03 0.215E-03
DAV: 32 -0.383497623847E+03 -0.28571E-04 -0.14986E-06 183 0.394E-03 0.147E-03
DAV: 33 -0.383497640160E+03 -0.16314E-04 -0.61509E-07 210 0.240E-03 0.108E-03
DAV: 34 -0.383497643632E+03 -0.34716E-05 -0.44490E-07 228 0.173E-03
1 F= -.38349764E+03 E0= -.38351415E+03 d E =0.495225E-01