iterations/neb0_image03_iter70_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 0.144887781747E+04 0.14489E+04 -0.44199E+04 330 0.697E+02
DAV: 2 0.224430337610E+03 -0.12244E+04 -0.11486E+04 435 0.163E+02
DAV: 3 -0.362610068594E+03 -0.58704E+03 -0.58357E+03 345 0.114E+02
DAV: 4 -0.433464971140E+03 -0.70855E+02 -0.70611E+02 318 0.509E+01
DAV: 5 -0.435053325219E+03 -0.15884E+01 -0.15860E+01 318 0.784E+00 0.426E+01
DAV: 6 -0.389049479167E+03 0.46004E+02 -0.14830E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385568278597E+03 0.34812E+01 -0.13328E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.384090451907E+03 0.14778E+01 -0.21097E+00 336 0.382E+00 0.428E+00
DAV: 9 -0.383518994335E+03 0.57146E+00 -0.74430E-01 336 0.210E+00 0.103E+00
DAV: 10 -0.383467366553E+03 0.51628E-01 -0.19201E-01 327 0.970E-01 0.913E-01
DAV: 11 -0.383447439868E+03 0.19927E-01 -0.10126E-01 345 0.544E-01 0.729E-01
DAV: 12 -0.383422866584E+03 0.24573E-01 -0.95501E-02 318 0.465E-01 0.684E-01
DAV: 13 -0.383415379917E+03 0.74867E-02 -0.10298E-01 372 0.385E-01 0.577E-01
DAV: 14 -0.383403624799E+03 0.11755E-01 -0.54923E-02 318 0.412E-01 0.301E-01
DAV: 15 -0.383404730715E+03 -0.11059E-02 -0.16831E-02 318 0.337E-01 0.190E-01
DAV: 16 -0.383413699725E+03 -0.89690E-02 -0.64803E-03 291 0.237E-01 0.165E-01
DAV: 17 -0.383426381498E+03 -0.12682E-01 -0.49856E-03 327 0.197E-01 0.136E-01
DAV: 18 -0.383436523188E+03 -0.10142E-01 -0.23468E-03 309 0.132E-01 0.666E-02
DAV: 19 -0.383442829887E+03 -0.63067E-02 -0.67392E-04 327 0.663E-02 0.538E-02
DAV: 20 -0.383449311242E+03 -0.64814E-02 -0.36137E-04 327 0.405E-02 0.324E-02
DAV: 21 -0.383453736470E+03 -0.44252E-02 -0.21146E-04 309 0.308E-02 0.172E-02
DAV: 22 -0.383456326222E+03 -0.25898E-02 -0.13835E-04 300 0.242E-02 0.206E-02
DAV: 23 -0.383457597672E+03 -0.12715E-02 -0.42463E-05 300 0.127E-02 0.109E-02
DAV: 24 -0.383458656260E+03 -0.10586E-02 -0.55251E-05 282 0.143E-02 0.539E-03
DAV: 25 -0.383458916495E+03 -0.26023E-03 -0.63563E-06 237 0.681E-03 0.420E-03
DAV: 26 -0.383459083551E+03 -0.16706E-03 -0.71908E-06 219 0.605E-03 0.439E-03
DAV: 27 -0.383459221002E+03 -0.13745E-03 -0.36098E-06 210 0.459E-03 0.221E-03
DAV: 28 -0.383459287032E+03 -0.66030E-04 -0.36624E-06 210 0.487E-03 0.191E-03
DAV: 29 -0.383459309884E+03 -0.22852E-04 -0.12024E-06 228 0.242E-03 0.164E-03
DAV: 30 -0.383459332092E+03 -0.22208E-04 -0.94049E-07 210 0.206E-03 0.611E-04
DAV: 31 -0.383459339542E+03 -0.74500E-05 -0.48585E-07 228 0.160E-03
1 F= -.38345934E+03 E0= -.38347185E+03 d E =0.375366E-01