iterations/neb0_image04_iter13_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 0.161902217597E+04 0.16190E+04 -0.42281E+04 306 0.697E+02
DAV: 2 0.298029574238E+03 -0.13210E+04 -0.12420E+04 420 0.168E+02
DAV: 3 -0.354120513881E+03 -0.65215E+03 -0.64857E+03 356 0.123E+02
DAV: 4 -0.433266607130E+03 -0.79146E+02 -0.78805E+02 316 0.540E+01
DAV: 5 -0.435111250907E+03 -0.18446E+01 -0.18424E+01 340 0.830E+00 0.427E+01
DAV: 6 -0.389061456018E+03 0.46050E+02 -0.15049E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.385568732816E+03 0.34927E+01 -0.12606E+01 340 0.770E+00 0.104E+01
DAV: 8 -0.384141081491E+03 0.14277E+01 -0.26941E+00 332 0.390E+00 0.431E+00
DAV: 9 -0.383561443892E+03 0.57964E+00 -0.62067E-01 324 0.196E+00 0.101E+00
DAV: 10 -0.383511581176E+03 0.49863E-01 -0.31684E-01 340 0.108E+00 0.111E+00
DAV: 11 -0.383493708110E+03 0.17873E-01 -0.17874E-01 316 0.505E-01 0.739E-01
DAV: 12 -0.383482268280E+03 0.11440E-01 -0.42885E-02 316 0.361E-01 0.566E-01
DAV: 13 -0.383470018841E+03 0.12249E-01 -0.13670E-01 324 0.502E-01 0.729E-01
DAV: 14 -0.383460627894E+03 0.93909E-02 -0.63018E-02 332 0.315E-01 0.242E-01
DAV: 15 -0.383462632237E+03 -0.20043E-02 -0.77144E-03 292 0.263E-01 0.181E-01
DAV: 16 -0.383472965409E+03 -0.10333E-01 -0.50405E-03 316 0.207E-01 0.157E-01
DAV: 17 -0.383484628326E+03 -0.11663E-01 -0.30060E-03 300 0.182E-01 0.965E-02
DAV: 18 -0.383493846950E+03 -0.92186E-02 -0.42433E-03 356 0.189E-01 0.135E-01
DAV: 19 -0.383496899098E+03 -0.30521E-02 -0.12809E-03 324 0.849E-02 0.910E-02
DAV: 20 -0.383499879490E+03 -0.29804E-02 -0.20732E-04 292 0.313E-02 0.627E-02
DAV: 21 -0.383509284546E+03 -0.94051E-02 -0.84683E-04 300 0.645E-02 0.355E-02
DAV: 22 -0.383512002043E+03 -0.27175E-02 -0.21830E-04 324 0.328E-02 0.248E-02
DAV: 23 -0.383514793272E+03 -0.27912E-02 -0.12814E-04 308 0.252E-02 0.167E-02
DAV: 24 -0.383517200354E+03 -0.24071E-02 -0.11298E-04 300 0.199E-02 0.109E-02
DAV: 25 -0.383518572871E+03 -0.13725E-02 -0.87817E-05 292 0.169E-02 0.103E-02
DAV: 26 -0.383518803838E+03 -0.23097E-03 -0.13031E-05 244 0.858E-03 0.554E-03
DAV: 27 -0.383519293770E+03 -0.48993E-03 -0.24021E-05 252 0.856E-03 0.590E-03
DAV: 28 -0.383519433107E+03 -0.13934E-03 -0.43813E-06 228 0.411E-03 0.419E-03
DAV: 29 -0.383519527971E+03 -0.94863E-04 -0.33708E-06 212 0.336E-03 0.225E-03
DAV: 30 -0.383519571751E+03 -0.43780E-04 -0.20987E-06 228 0.309E-03 0.115E-03
DAV: 31 -0.383519593422E+03 -0.21671E-04 -0.79523E-07 220 0.187E-03 0.824E-04
DAV: 32 -0.383519610949E+03 -0.17527E-04 -0.64970E-07 212 0.135E-03 0.768E-04
DAV: 33 -0.383519619558E+03 -0.86095E-05 -0.27965E-07 228 0.916E-04
1 F= -.38351962E+03 E0= -.38353688E+03 d E =0.517779E-01