iterations/neb0_image07_iter49_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 0.144794791049E+04 0.14479E+04 -0.44237E+04 330 0.697E+02
DAV: 2 0.227078960082E+03 -0.12209E+04 -0.11448E+04 426 0.163E+02
DAV: 3 -0.367686816348E+03 -0.59477E+03 -0.59145E+03 363 0.114E+02
DAV: 4 -0.432331663484E+03 -0.64645E+02 -0.64427E+02 300 0.472E+01
DAV: 5 -0.433747041758E+03 -0.14154E+01 -0.14125E+01 336 0.730E+00 0.427E+01
DAV: 6 -0.387756537105E+03 0.45991E+02 -0.15064E+02 309 0.288E+01 0.209E+01
DAV: 7 -0.384332094151E+03 0.34244E+01 -0.12649E+01 345 0.770E+00 0.105E+01
DAV: 8 -0.382919233421E+03 0.14129E+01 -0.34400E+00 327 0.402E+00 0.447E+00
DAV: 9 -0.382348194637E+03 0.57104E+00 -0.99634E-01 336 0.218E+00 0.113E+00
DAV: 10 -0.382257180377E+03 0.91014E-01 -0.17981E-01 336 0.111E+00 0.781E-01
DAV: 11 -0.382230404763E+03 0.26776E-01 -0.36641E-02 336 0.486E-01 0.532E-01
DAV: 12 -0.382208376130E+03 0.22029E-01 -0.54650E-02 327 0.406E-01 0.522E-01
DAV: 13 -0.382203150893E+03 0.52252E-02 -0.86869E-02 345 0.397E-01 0.489E-01
DAV: 14 -0.382198462924E+03 0.46880E-02 -0.13736E-02 318 0.381E-01 0.230E-01
DAV: 15 -0.382206803363E+03 -0.83404E-02 -0.83131E-03 309 0.276E-01 0.233E-01
DAV: 16 -0.382210817343E+03 -0.40140E-02 -0.74398E-03 309 0.190E-01 0.109E-01
DAV: 17 -0.382219715862E+03 -0.88985E-02 -0.23519E-03 291 0.145E-01 0.630E-02
DAV: 18 -0.382228316490E+03 -0.86006E-02 -0.17332E-03 327 0.120E-01 0.731E-02
DAV: 19 -0.382236628930E+03 -0.83124E-02 -0.79355E-04 327 0.794E-02 0.477E-02
DAV: 20 -0.382241978826E+03 -0.53499E-02 -0.44231E-04 309 0.405E-02 0.341E-02
DAV: 21 -0.382245833245E+03 -0.38544E-02 -0.22047E-04 300 0.293E-02 0.190E-02
DAV: 22 -0.382248131668E+03 -0.22984E-02 -0.10739E-04 300 0.188E-02 0.871E-03
DAV: 23 -0.382249674311E+03 -0.15426E-02 -0.87363E-05 291 0.169E-02 0.739E-03
DAV: 24 -0.382250017007E+03 -0.34270E-03 -0.82990E-06 237 0.727E-03 0.411E-03
DAV: 25 -0.382250378832E+03 -0.36182E-03 -0.15487E-05 219 0.804E-03 0.422E-03
DAV: 26 -0.382250509534E+03 -0.13070E-03 -0.38800E-06 219 0.460E-03 0.223E-03
DAV: 27 -0.382250595336E+03 -0.85802E-04 -0.32503E-06 210 0.440E-03 0.171E-03
DAV: 28 -0.382250635072E+03 -0.39736E-04 -0.17222E-06 210 0.314E-03 0.153E-03
DAV: 29 -0.382250653554E+03 -0.18481E-04 -0.73373E-07 219 0.204E-03 0.113E-03
DAV: 30 -0.382250672491E+03 -0.18937E-04 -0.78538E-07 201 0.208E-03 0.629E-04
DAV: 31 -0.382250677248E+03 -0.47571E-05 -0.26020E-07 228 0.118E-03
1 F= -.38225068E+03 E0= -.38226408E+03 d E =0.402145E-01