iterations/neb0_image07_iter4_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 0.150744491720E+04 0.15074E+04 -0.43561E+04 322 0.697E+02
DAV: 2 0.249495474094E+03 -0.12579E+04 -0.11830E+04 428 0.164E+02
DAV: 3 -0.355701809278E+03 -0.60520E+03 -0.60123E+03 348 0.117E+02
DAV: 4 -0.432815196427E+03 -0.77113E+02 -0.76786E+02 316 0.531E+01
DAV: 5 -0.434625077102E+03 -0.18099E+01 -0.18069E+01 332 0.817E+00 0.426E+01
DAV: 6 -0.388691785666E+03 0.45933E+02 -0.14886E+02 324 0.285E+01 0.208E+01
DAV: 7 -0.385189008315E+03 0.35028E+01 -0.12759E+01 332 0.775E+00 0.104E+01
DAV: 8 -0.383778138041E+03 0.14109E+01 -0.27116E+00 332 0.394E+00 0.430E+00
DAV: 9 -0.383212406642E+03 0.56573E+00 -0.60823E-01 332 0.194E+00 0.106E+00
DAV: 10 -0.383168086979E+03 0.44320E-01 -0.43909E-01 340 0.116E+00 0.118E+00
DAV: 11 -0.383141102151E+03 0.26985E-01 -0.19259E-01 316 0.564E-01 0.751E-01
DAV: 12 -0.383132423345E+03 0.86788E-02 -0.54034E-02 332 0.359E-01 0.563E-01
DAV: 13 -0.383119567957E+03 0.12855E-01 -0.11182E-01 332 0.475E-01 0.630E-01
DAV: 14 -0.383110826220E+03 0.87417E-02 -0.58151E-02 308 0.325E-01 0.240E-01
DAV: 15 -0.383113070736E+03 -0.22445E-02 -0.86891E-03 300 0.272E-01 0.199E-01
DAV: 16 -0.383122155772E+03 -0.90850E-02 -0.37151E-03 332 0.178E-01 0.142E-01
DAV: 17 -0.383136853415E+03 -0.14698E-01 -0.42478E-03 284 0.178E-01 0.907E-02
DAV: 18 -0.383144397769E+03 -0.75444E-02 -0.25148E-03 316 0.133E-01 0.762E-02
DAV: 19 -0.383149924945E+03 -0.55272E-02 -0.56045E-04 332 0.562E-02 0.654E-02
DAV: 20 -0.383158532931E+03 -0.86080E-02 -0.64007E-04 292 0.520E-02 0.328E-02
DAV: 21 -0.383162942660E+03 -0.44097E-02 -0.22194E-04 324 0.353E-02 0.277E-02
DAV: 22 -0.383165443792E+03 -0.25011E-02 -0.17306E-04 324 0.314E-02 0.174E-02
DAV: 23 -0.383167455670E+03 -0.20119E-02 -0.10316E-04 316 0.240E-02 0.123E-02
DAV: 24 -0.383168561870E+03 -0.11062E-02 -0.56136E-05 300 0.185E-02 0.905E-03
DAV: 25 -0.383169178011E+03 -0.61614E-03 -0.27048E-05 252 0.135E-02 0.565E-03
DAV: 26 -0.383169575069E+03 -0.39706E-03 -0.24551E-05 252 0.124E-02 0.582E-03
DAV: 27 -0.383169679756E+03 -0.10469E-03 -0.90304E-06 244 0.885E-03 0.327E-03
DAV: 28 -0.383169729561E+03 -0.49805E-04 -0.34947E-06 212 0.566E-03 0.217E-03
DAV: 29 -0.383169771306E+03 -0.41744E-04 -0.22297E-06 220 0.456E-03 0.159E-03
DAV: 30 -0.383169804878E+03 -0.33572E-04 -0.29414E-06 212 0.572E-03 0.138E-03
DAV: 31 -0.383169812318E+03 -0.74399E-05 -0.25769E-06 228 0.453E-03
1 F= -.38316981E+03 E0= -.38318336E+03 d E =0.406556E-01