iterations/neb0_image07_iter46_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.142707737490E+04 0.14271E+04 -0.44080E+04 330 0.697E+02
DAV: 2 0.234463426627E+03 -0.11926E+04 -0.11195E+04 408 0.162E+02
DAV: 3 -0.354803450971E+03 -0.58927E+03 -0.58529E+03 363 0.114E+02
DAV: 4 -0.425271383772E+03 -0.70468E+02 -0.70143E+02 309 0.494E+01
DAV: 5 -0.426950132213E+03 -0.16787E+01 -0.16762E+01 363 0.781E+00 0.415E+01
DAV: 6 -0.383314223970E+03 0.43636E+02 -0.14717E+02 309 0.286E+01 0.203E+01
DAV: 7 -0.380212314632E+03 0.31019E+01 -0.11943E+01 336 0.779E+00 0.102E+01
DAV: 8 -0.378786934535E+03 0.14254E+01 -0.18076E+00 327 0.380E+00 0.422E+00
DAV: 9 -0.378247267685E+03 0.53967E+00 -0.74631E-01 327 0.194E+00 0.112E+00
DAV: 10 -0.378200260562E+03 0.47007E-01 -0.38332E-01 354 0.903E-01 0.768E-01
DAV: 11 -0.378165134203E+03 0.35126E-01 -0.33671E-02 327 0.525E-01 0.584E-01
DAV: 12 -0.378147519642E+03 0.17615E-01 -0.17036E-01 354 0.563E-01 0.802E-01
DAV: 13 -0.378133782987E+03 0.13737E-01 -0.18869E-01 345 0.475E-01 0.340E-01
DAV: 14 -0.378133094201E+03 0.68879E-03 -0.10233E-02 300 0.302E-01 0.208E-01
DAV: 15 -0.378141994829E+03 -0.89006E-02 -0.11378E-02 309 0.272E-01 0.169E-01
DAV: 16 -0.378154774874E+03 -0.12780E-01 -0.46769E-03 300 0.199E-01 0.620E-02
DAV: 17 -0.378163664060E+03 -0.88892E-02 -0.30125E-03 318 0.127E-01 0.145E-01
DAV: 18 -0.378170803199E+03 -0.71391E-02 -0.34936E-03 327 0.796E-02 0.734E-02
DAV: 19 -0.378177927046E+03 -0.71238E-02 -0.58998E-04 300 0.499E-02 0.724E-02
DAV: 20 -0.378180420610E+03 -0.24936E-02 -0.87453E-05 327 0.188E-02 0.673E-02
DAV: 21 -0.378183495920E+03 -0.30753E-02 -0.33606E-04 300 0.307E-02 0.128E-02
DAV: 22 -0.378184413576E+03 -0.91766E-03 -0.40021E-05 309 0.138E-02 0.133E-02
DAV: 23 -0.378184894108E+03 -0.48053E-03 -0.36380E-05 237 0.125E-02 0.118E-02
DAV: 24 -0.378185545054E+03 -0.65095E-03 -0.32071E-05 264 0.103E-02 0.653E-03
DAV: 25 -0.378185722532E+03 -0.17748E-03 -0.51129E-06 219 0.687E-03 0.342E-03
DAV: 26 -0.378185827027E+03 -0.10450E-03 -0.60191E-06 228 0.610E-03 0.344E-03
DAV: 27 -0.378185888023E+03 -0.60995E-04 -0.16539E-06 219 0.417E-03 0.236E-03
DAV: 28 -0.378185938642E+03 -0.50619E-04 -0.34945E-06 210 0.518E-03 0.214E-03
DAV: 29 -0.378185964734E+03 -0.26092E-04 -0.96896E-07 228 0.318E-03 0.943E-04
DAV: 30 -0.378185979277E+03 -0.14543E-04 -0.12844E-06 219 0.285E-03 0.144E-03
DAV: 31 -0.378185988202E+03 -0.89249E-05 -0.34055E-07 228 0.164E-03
1 F= -.37818599E+03 E0= -.37819579E+03 d E =0.293940E-01