./iterations/neb0_image05_iter8_OSZICAR.out output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.145079785984E+04 0.14508E+04 -0.44214E+04 330 0.697E+02
DAV: 2 0.232725502272E+03 -0.12181E+04 -0.11432E+04 417 0.163E+02
DAV: 3 -0.361033844629E+03 -0.59376E+03 -0.59054E+03 345 0.114E+02
DAV: 4 -0.433179805898E+03 -0.72146E+02 -0.71904E+02 309 0.516E+01
DAV: 5 -0.434827235873E+03 -0.16474E+01 -0.16446E+01 318 0.798E+00 0.426E+01
DAV: 6 -0.388944408402E+03 0.45883E+02 -0.14713E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385485498242E+03 0.34589E+01 -0.13326E+01 345 0.784E+00 0.104E+01
DAV: 8 -0.384049156776E+03 0.14363E+01 -0.19756E+00 336 0.384E+00 0.440E+00
DAV: 9 -0.383505435911E+03 0.54372E+00 -0.20002E+00 372 0.251E+00 0.139E+00
DAV: 10 -0.383427830078E+03 0.77606E-01 -0.17410E-01 318 0.113E+00 0.107E+00
DAV: 11 -0.383407293257E+03 0.20537E-01 -0.20153E-01 327 0.649E-01 0.788E-01
DAV: 12 -0.383373381777E+03 0.33911E-01 -0.38064E-02 354 0.546E-01 0.535E-01
DAV: 13 -0.383361216311E+03 0.12165E-01 -0.84153E-02 354 0.526E-01 0.696E-01
DAV: 14 -0.383353631524E+03 0.75848E-02 -0.76593E-02 345 0.412E-01 0.565E-01
DAV: 15 -0.383352772206E+03 0.85932E-03 -0.13513E-02 345 0.313E-01 0.431E-01
DAV: 16 -0.383353183275E+03 -0.41107E-03 -0.15539E-02 309 0.256E-01 0.254E-01
DAV: 17 -0.383358563420E+03 -0.53801E-02 -0.67726E-03 300 0.244E-01 0.245E-01
DAV: 18 -0.383366718651E+03 -0.81552E-02 -0.36297E-03 318 0.204E-01 0.133E-01
DAV: 19 -0.383375269597E+03 -0.85509E-02 -0.18092E-03 300 0.144E-01 0.114E-01
DAV: 20 -0.383385323827E+03 -0.10054E-01 -0.14438E-03 318 0.119E-01 0.565E-02
DAV: 21 -0.383391078936E+03 -0.57551E-02 -0.58274E-04 336 0.632E-02 0.579E-02
DAV: 22 -0.383395423790E+03 -0.43449E-02 -0.28045E-04 309 0.416E-02 0.388E-02
DAV: 23 -0.383398136870E+03 -0.27131E-02 -0.13965E-04 327 0.278E-02 0.181E-02
DAV: 24 -0.383399646928E+03 -0.15101E-02 -0.57257E-05 300 0.163E-02 0.128E-02
DAV: 25 -0.383401217629E+03 -0.15707E-02 -0.70796E-05 291 0.152E-02 0.129E-02
DAV: 26 -0.383401829609E+03 -0.61198E-03 -0.19401E-05 255 0.111E-02 0.102E-02
DAV: 27 -0.383402210696E+03 -0.38109E-03 -0.12567E-05 237 0.675E-03 0.721E-03
DAV: 28 -0.383402390269E+03 -0.17957E-03 -0.71013E-06 219 0.588E-03 0.355E-03
DAV: 29 -0.383402530155E+03 -0.13989E-03 -0.37285E-06 219 0.468E-03 0.316E-03
DAV: 30 -0.383402576343E+03 -0.46188E-04 -0.19270E-06 228 0.291E-03 0.179E-03
DAV: 31 -0.383402605107E+03 -0.28764E-04 -0.10785E-06 201 0.223E-03 0.100E-03
DAV: 32 -0.383402625304E+03 -0.20197E-04 -0.81193E-07 228 0.177E-03 0.102E-03
DAV: 33 -0.383402630863E+03 -0.55592E-05 -0.27403E-07 228 0.103E-03
1 F= -.38340263E+03 E0= -.38341916E+03 d E =0.495874E-01