iterations/neb0_image05_iter14_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 0.145053228887E+04 0.14505E+04 -0.44212E+04 330 0.697E+02
DAV: 2 0.232698320427E+03 -0.12178E+04 -0.11430E+04 417 0.163E+02
DAV: 3 -0.364832240869E+03 -0.59753E+03 -0.59425E+03 354 0.114E+02
DAV: 4 -0.433297072975E+03 -0.68465E+02 -0.68222E+02 318 0.495E+01
DAV: 5 -0.434795102754E+03 -0.14980E+01 -0.14955E+01 318 0.762E+00 0.426E+01
DAV: 6 -0.388936731622E+03 0.45858E+02 -0.14806E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385501629088E+03 0.34351E+01 -0.13410E+01 345 0.781E+00 0.104E+01
DAV: 8 -0.384043436486E+03 0.14582E+01 -0.22774E+00 336 0.388E+00 0.434E+00
DAV: 9 -0.383493204990E+03 0.55023E+00 -0.11184E+00 327 0.229E+00 0.141E+00
DAV: 10 -0.383443146321E+03 0.50059E-01 -0.72280E-01 336 0.131E+00 0.122E+00
DAV: 11 -0.383400330126E+03 0.42816E-01 -0.23464E-01 363 0.770E-01 0.830E-01
DAV: 12 -0.383384798869E+03 0.15531E-01 -0.44228E-02 336 0.505E-01 0.646E-01
DAV: 13 -0.383371860969E+03 0.12938E-01 -0.31037E-02 345 0.442E-01 0.754E-01
DAV: 14 -0.383362726621E+03 0.91343E-02 -0.21000E-01 372 0.568E-01 0.741E-01
DAV: 15 -0.383363790302E+03 -0.10637E-02 -0.14572E-01 345 0.422E-01 0.923E-01
DAV: 16 -0.383353962724E+03 0.98276E-02 -0.15046E-02 336 0.336E-01 0.338E-01
DAV: 17 -0.383357787476E+03 -0.38248E-02 -0.76088E-03 327 0.262E-01 0.256E-01
DAV: 18 -0.383363968170E+03 -0.61807E-02 -0.78968E-03 345 0.203E-01 0.119E-01
DAV: 19 -0.383374316343E+03 -0.10348E-01 -0.30337E-03 282 0.143E-01 0.153E-01
DAV: 20 -0.383384138220E+03 -0.98219E-02 -0.33268E-03 309 0.147E-01 0.197E-01
DAV: 21 -0.383389958753E+03 -0.58205E-02 -0.19232E-03 354 0.125E-01 0.118E-01
DAV: 22 -0.383395117312E+03 -0.51586E-02 -0.98362E-04 309 0.665E-02 0.444E-02
DAV: 23 -0.383397458785E+03 -0.23415E-02 -0.19975E-04 327 0.323E-02 0.373E-02
DAV: 24 -0.383401035651E+03 -0.35769E-02 -0.23118E-04 309 0.397E-02 0.452E-02
DAV: 25 -0.383403442154E+03 -0.24065E-02 -0.17492E-04 327 0.276E-02 0.263E-02
DAV: 26 -0.383404332973E+03 -0.89082E-03 -0.47379E-05 300 0.181E-02 0.172E-02
DAV: 27 -0.383405197129E+03 -0.86416E-03 -0.65004E-05 300 0.173E-02 0.126E-02
DAV: 28 -0.383405602624E+03 -0.40549E-03 -0.10881E-05 228 0.833E-03 0.107E-02
DAV: 29 -0.383405946314E+03 -0.34369E-03 -0.17618E-05 237 0.905E-03 0.591E-03
DAV: 30 -0.383406058930E+03 -0.11262E-03 -0.32736E-06 237 0.455E-03 0.536E-03
DAV: 31 -0.383406167314E+03 -0.10838E-03 -0.72756E-06 192 0.716E-03 0.468E-03
DAV: 32 -0.383406218415E+03 -0.51101E-04 -0.18746E-06 228 0.409E-03 0.298E-03
DAV: 33 -0.383406246025E+03 -0.27610E-04 -0.18884E-06 237 0.385E-03 0.142E-03
DAV: 34 -0.383406273007E+03 -0.26982E-04 -0.99711E-07 201 0.237E-03 0.174E-03
DAV: 35 -0.383406285979E+03 -0.12972E-04 -0.62032E-07 228 0.164E-03 0.112E-03
DAV: 36 -0.383406295428E+03 -0.94498E-05 -0.35694E-07 210 0.158E-03
1 F= -.38340630E+03 E0= -.38342296E+03 d E =0.500074E-01