./iterations/neb0_image06_iter23_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 0.145098276799E+04 0.14510E+04 -0.44224E+04 330 0.697E+02
DAV: 2 0.227588866595E+03 -0.12234E+04 -0.11472E+04 426 0.163E+02
DAV: 3 -0.365401386934E+03 -0.59299E+03 -0.58970E+03 354 0.114E+02
DAV: 4 -0.433202661743E+03 -0.67801E+02 -0.67546E+02 318 0.490E+01
DAV: 5 -0.434686253228E+03 -0.14836E+01 -0.14811E+01 318 0.757E+00 0.426E+01
DAV: 6 -0.388864407947E+03 0.45822E+02 -0.14834E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385429446941E+03 0.34350E+01 -0.13211E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.383963786852E+03 0.14657E+01 -0.20345E+00 336 0.385E+00 0.430E+00
DAV: 9 -0.383414746918E+03 0.54904E+00 -0.67294E-01 336 0.213E+00 0.125E+00
DAV: 10 -0.383357459041E+03 0.57288E-01 -0.48159E-01 345 0.104E+00 0.121E+00
DAV: 11 -0.383334814985E+03 0.22644E-01 -0.30823E-01 345 0.657E-01 0.100E+00
DAV: 12 -0.383308557374E+03 0.26258E-01 -0.85612E-02 327 0.469E-01 0.630E-01
DAV: 13 -0.383293846884E+03 0.14710E-01 -0.15418E-02 327 0.433E-01 0.495E-01
DAV: 14 -0.383280463706E+03 0.13383E-01 -0.17238E-02 309 0.414E-01 0.269E-01
DAV: 15 -0.383283496361E+03 -0.30327E-02 -0.13732E-02 327 0.337E-01 0.169E-01
DAV: 16 -0.383290840437E+03 -0.73441E-02 -0.34447E-03 309 0.202E-01 0.108E-01
DAV: 17 -0.383299548184E+03 -0.87077E-02 -0.17744E-03 309 0.135E-01 0.852E-02
DAV: 18 -0.383312048563E+03 -0.12500E-01 -0.27595E-03 309 0.144E-01 0.102E-01
DAV: 19 -0.383317360307E+03 -0.53117E-02 -0.11748E-03 354 0.989E-02 0.539E-02
DAV: 20 -0.383322657184E+03 -0.52969E-02 -0.29305E-04 309 0.465E-02 0.339E-02
DAV: 21 -0.383328462748E+03 -0.58056E-02 -0.32603E-04 318 0.378E-02 0.183E-02
DAV: 22 -0.383333034230E+03 -0.45715E-02 -0.27885E-04 300 0.304E-02 0.165E-02
DAV: 23 -0.383334437768E+03 -0.14035E-02 -0.52716E-05 300 0.149E-02 0.829E-03
DAV: 24 -0.383335473163E+03 -0.10354E-02 -0.40936E-05 273 0.119E-02 0.678E-03
DAV: 25 -0.383336126056E+03 -0.65289E-03 -0.24239E-05 255 0.906E-03 0.369E-03
DAV: 26 -0.383336275817E+03 -0.14976E-03 -0.42231E-06 237 0.451E-03 0.269E-03
DAV: 27 -0.383336446237E+03 -0.17042E-03 -0.48450E-06 192 0.468E-03 0.123E-03
DAV: 28 -0.383336521926E+03 -0.75689E-04 -0.29226E-06 219 0.307E-03 0.117E-03
DAV: 29 -0.383336547667E+03 -0.25741E-04 -0.10168E-06 237 0.233E-03 0.645E-04
DAV: 30 -0.383336568673E+03 -0.21006E-04 -0.98456E-07 201 0.176E-03 0.856E-04
DAV: 31 -0.383336570707E+03 -0.20338E-05 -0.22997E-07 237 0.107E-03
1 F= -.38333657E+03 E0= -.38335337E+03 d E =0.504110E-01