./iterations/neb0_image03_iter6_OSZICAR.out output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.151030362709E+04 0.15103E+04 -0.43527E+04 322 0.697E+02
DAV: 2 0.254339898653E+03 -0.12560E+04 -0.11784E+04 428 0.164E+02
DAV: 3 -0.357364844571E+03 -0.61170E+03 -0.60759E+03 356 0.118E+02
DAV: 4 -0.433284540530E+03 -0.75920E+02 -0.75592E+02 316 0.519E+01
DAV: 5 -0.435034902327E+03 -0.17504E+01 -0.17476E+01 324 0.806E+00 0.426E+01
DAV: 6 -0.389183929464E+03 0.45851E+02 -0.14940E+02 308 0.287E+01 0.208E+01
DAV: 7 -0.385742754773E+03 0.34412E+01 -0.12562E+01 340 0.778E+00 0.104E+01
DAV: 8 -0.384331543801E+03 0.14112E+01 -0.25451E+00 340 0.381E+00 0.425E+00
DAV: 9 -0.383759238392E+03 0.57231E+00 -0.64092E-01 324 0.197E+00 0.971E-01
DAV: 10 -0.383714789962E+03 0.44448E-01 -0.25451E-01 364 0.100E+00 0.105E+00
DAV: 11 -0.383694169296E+03 0.20621E-01 -0.15500E-01 324 0.454E-01 0.646E-01
DAV: 12 -0.383666961154E+03 0.27208E-01 -0.19928E-02 316 0.443E-01 0.327E-01
DAV: 13 -0.383660556185E+03 0.64050E-02 -0.14511E-01 324 0.610E-01 0.998E-01
DAV: 14 -0.383649878430E+03 0.10678E-01 -0.92932E-03 316 0.260E-01 0.535E-01
DAV: 15 -0.383652929405E+03 -0.30510E-02 -0.67244E-03 292 0.169E-01 0.293E-01
DAV: 16 -0.383665137514E+03 -0.12208E-01 -0.12519E-02 300 0.287E-01 0.224E-01
DAV: 17 -0.383677966442E+03 -0.12829E-01 -0.61462E-03 332 0.285E-01 0.228E-01
DAV: 18 -0.383684063877E+03 -0.60974E-02 -0.28450E-03 316 0.153E-01 0.172E-01
DAV: 19 -0.383689913219E+03 -0.58493E-02 -0.21485E-03 308 0.932E-02 0.543E-02
DAV: 20 -0.383695121734E+03 -0.52085E-02 -0.49187E-04 340 0.816E-02 0.508E-02
DAV: 21 -0.383699210843E+03 -0.40891E-02 -0.48827E-04 348 0.735E-02 0.382E-02
DAV: 22 -0.383701687707E+03 -0.24769E-02 -0.26664E-04 380 0.572E-02 0.366E-02
DAV: 23 -0.383701695776E+03 -0.80694E-05 -0.74375E-05 316 0.207E-02
1 F= -.38370170E+03 E0= -.38371833E+03 d E =0.498889E-01