iterations/neb0_image07_iter6_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 0.150802210926E+04 0.15080E+04 -0.43566E+04 322 0.697E+02
DAV: 2 0.249570875325E+03 -0.12585E+04 -0.11835E+04 428 0.164E+02
DAV: 3 -0.355884011429E+03 -0.60545E+03 -0.60150E+03 348 0.117E+02
DAV: 4 -0.432944192757E+03 -0.77060E+02 -0.76736E+02 316 0.531E+01
DAV: 5 -0.434752039738E+03 -0.18078E+01 -0.18048E+01 332 0.817E+00 0.427E+01
DAV: 6 -0.388737596678E+03 0.46014E+02 -0.14900E+02 324 0.285E+01 0.209E+01
DAV: 7 -0.385225738124E+03 0.35119E+01 -0.12820E+01 340 0.776E+00 0.104E+01
DAV: 8 -0.383810575631E+03 0.14152E+01 -0.27125E+00 332 0.393E+00 0.429E+00
DAV: 9 -0.383243418625E+03 0.56716E+00 -0.61453E-01 332 0.195E+00 0.105E+00
DAV: 10 -0.383201459755E+03 0.41959E-01 -0.44015E-01 332 0.114E+00 0.117E+00
DAV: 11 -0.383174282054E+03 0.27178E-01 -0.17633E-01 316 0.552E-01 0.746E-01
DAV: 12 -0.383165778470E+03 0.85036E-02 -0.57190E-02 324 0.362E-01 0.562E-01
DAV: 13 -0.383151873746E+03 0.13905E-01 -0.10332E-01 316 0.472E-01 0.590E-01
DAV: 14 -0.383143875407E+03 0.79983E-02 -0.53274E-02 308 0.327E-01 0.216E-01
DAV: 15 -0.383146046714E+03 -0.21713E-02 -0.87809E-03 292 0.272E-01 0.198E-01
DAV: 16 -0.383155657258E+03 -0.96105E-02 -0.37945E-03 324 0.181E-01 0.135E-01
DAV: 17 -0.383169764836E+03 -0.14108E-01 -0.34704E-03 292 0.179E-01 0.684E-02
DAV: 18 -0.383178141620E+03 -0.83768E-02 -0.21741E-03 308 0.126E-01 0.791E-02
DAV: 19 -0.383185075661E+03 -0.69340E-02 -0.62597E-04 340 0.597E-02 0.549E-02
DAV: 20 -0.383192599959E+03 -0.75243E-02 -0.48805E-04 300 0.463E-02 0.287E-02
DAV: 21 -0.383196700022E+03 -0.41001E-02 -0.18701E-04 316 0.304E-02 0.209E-02
DAV: 22 -0.383199416061E+03 -0.27160E-02 -0.15235E-04 300 0.260E-02 0.145E-02
DAV: 23 -0.383201163803E+03 -0.17477E-02 -0.77265E-05 316 0.172E-02 0.783E-03
DAV: 24 -0.383202131002E+03 -0.96720E-03 -0.44086E-05 276 0.134E-02 0.653E-03
DAV: 25 -0.383202577323E+03 -0.44632E-03 -0.21118E-05 244 0.986E-03 0.452E-03
DAV: 26 -0.383202770107E+03 -0.19278E-03 -0.77162E-06 220 0.554E-03 0.368E-03
DAV: 27 -0.383202869483E+03 -0.99376E-04 -0.51225E-06 220 0.580E-03 0.198E-03
DAV: 28 -0.383202908318E+03 -0.38835E-04 -0.18984E-06 228 0.330E-03 0.199E-03
DAV: 29 -0.383202951823E+03 -0.43505E-04 -0.14996E-06 212 0.315E-03 0.117E-03
DAV: 30 -0.383202977963E+03 -0.26141E-04 -0.16646E-06 220 0.297E-03 0.149E-03
DAV: 31 -0.383202982695E+03 -0.47321E-05 -0.43463E-07 228 0.202E-03
1 F= -.38320298E+03 E0= -.38321616E+03 d E =0.395416E-01