iterations/neb0_image03_iter51_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 0.144923979214E+04 0.14492E+04 -0.44198E+04 330 0.697E+02
DAV: 2 0.224606665174E+03 -0.12246E+04 -0.11486E+04 435 0.163E+02
DAV: 3 -0.362563662327E+03 -0.58717E+03 -0.58381E+03 345 0.114E+02
DAV: 4 -0.433439237309E+03 -0.70876E+02 -0.70646E+02 309 0.509E+01
DAV: 5 -0.435031541915E+03 -0.15923E+01 -0.15897E+01 318 0.784E+00 0.426E+01
DAV: 6 -0.389010429851E+03 0.46021E+02 -0.14812E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385546651687E+03 0.34638E+01 -0.13505E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384096117871E+03 0.14505E+01 -0.25215E+00 327 0.389E+00 0.441E+00
DAV: 9 -0.383533564026E+03 0.56255E+00 -0.13611E+00 345 0.239E+00 0.129E+00
DAV: 10 -0.383465397808E+03 0.68166E-01 -0.19391E-01 327 0.119E+00 0.108E+00
DAV: 11 -0.383443567908E+03 0.21830E-01 -0.24658E-01 345 0.654E-01 0.835E-01
DAV: 12 -0.383407941742E+03 0.35626E-01 -0.29979E-02 354 0.592E-01 0.618E-01
DAV: 13 -0.383399897007E+03 0.80447E-02 -0.97884E-02 345 0.527E-01 0.644E-01
DAV: 14 -0.383388791074E+03 0.11106E-01 -0.14362E-02 318 0.356E-01 0.433E-01
DAV: 15 -0.383389032548E+03 -0.24147E-03 -0.77608E-03 309 0.272E-01 0.232E-01
DAV: 16 -0.383396349461E+03 -0.73169E-02 -0.77646E-03 327 0.291E-01 0.579E-01
DAV: 17 -0.383397564187E+03 -0.12147E-02 -0.21451E-02 309 0.218E-01 0.140E-01
DAV: 18 -0.383407805359E+03 -0.10241E-01 -0.40940E-03 300 0.160E-01 0.170E-01
DAV: 19 -0.383417411778E+03 -0.96064E-02 -0.22215E-03 318 0.131E-01 0.114E-01
DAV: 20 -0.383426513422E+03 -0.91016E-02 -0.12656E-03 318 0.119E-01 0.585E-02
DAV: 21 -0.383430508814E+03 -0.39954E-02 -0.40350E-04 327 0.575E-02 0.391E-02
DAV: 22 -0.383434998996E+03 -0.44902E-02 -0.30824E-04 300 0.402E-02 0.541E-02
DAV: 23 -0.383437802111E+03 -0.28031E-02 -0.11884E-04 336 0.235E-02 0.243E-02
DAV: 24 -0.383439821311E+03 -0.20192E-02 -0.10305E-04 300 0.244E-02 0.121E-02
DAV: 25 -0.383440819982E+03 -0.99867E-03 -0.42439E-05 309 0.138E-02 0.895E-03
DAV: 26 -0.383441246882E+03 -0.42690E-03 -0.91431E-06 219 0.904E-03 0.601E-03
DAV: 27 -0.383441755126E+03 -0.50824E-03 -0.33293E-05 264 0.118E-02 0.741E-03
DAV: 28 -0.383441820260E+03 -0.65134E-04 -0.27074E-06 246 0.743E-03 0.432E-03
DAV: 29 -0.383441912810E+03 -0.92550E-04 -0.14544E-05 228 0.993E-03 0.607E-03
DAV: 30 -0.383441943461E+03 -0.30651E-04 -0.33854E-06 228 0.779E-03 0.313E-03
DAV: 31 -0.383442000579E+03 -0.57118E-04 -0.30903E-06 192 0.426E-03 0.235E-03
DAV: 32 -0.383442031737E+03 -0.31158E-04 -0.16247E-06 228 0.330E-03 0.174E-03
DAV: 33 -0.383442043058E+03 -0.11322E-04 -0.44035E-07 219 0.214E-03 0.147E-03
DAV: 34 -0.383442050247E+03 -0.71888E-05 -0.82405E-07 219 0.273E-03
1 F= -.38344205E+03 E0= -.38345847E+03 d E =0.492710E-01