iterations/neb0_image06_iter5_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 0.162073773562E+04 0.16207E+04 -0.42282E+04 306 0.697E+02
DAV: 2 0.301442415047E+03 -0.13193E+04 -0.12410E+04 420 0.168E+02
DAV: 3 -0.352301379247E+03 -0.65374E+03 -0.64866E+03 356 0.123E+02
DAV: 4 -0.432942662186E+03 -0.80641E+02 -0.80304E+02 308 0.544E+01
DAV: 5 -0.434855215184E+03 -0.19126E+01 -0.19098E+01 348 0.843E+00 0.427E+01
DAV: 6 -0.388886045623E+03 0.45969E+02 -0.15025E+02 316 0.286E+01 0.209E+01
DAV: 7 -0.385403537544E+03 0.34825E+01 -0.12605E+01 340 0.770E+00 0.104E+01
DAV: 8 -0.383982912652E+03 0.14206E+01 -0.28349E+00 332 0.392E+00 0.433E+00
DAV: 9 -0.383422705636E+03 0.56021E+00 -0.75678E-01 332 0.202E+00 0.122E+00
DAV: 10 -0.383370465097E+03 0.52241E-01 -0.56504E-01 340 0.108E+00 0.782E-01
DAV: 11 -0.383345840417E+03 0.24625E-01 -0.31481E-02 324 0.484E-01 0.621E-01
DAV: 12 -0.383322442869E+03 0.23398E-01 -0.11710E-01 364 0.673E-01 0.776E-01
DAV: 13 -0.383312297416E+03 0.10145E-01 -0.74143E-02 332 0.422E-01 0.445E-01
DAV: 14 -0.383310553701E+03 0.17437E-02 -0.13973E-02 300 0.269E-01 0.303E-01
DAV: 15 -0.383314395737E+03 -0.38420E-02 -0.54484E-03 316 0.201E-01 0.265E-01
DAV: 16 -0.383324700257E+03 -0.10305E-01 -0.17497E-02 308 0.259E-01 0.218E-01
DAV: 17 -0.383334717435E+03 -0.10017E-01 -0.50003E-03 308 0.207E-01 0.216E-01
DAV: 18 -0.383343844830E+03 -0.91274E-02 -0.20293E-03 292 0.119E-01 0.768E-02
DAV: 19 -0.383351195495E+03 -0.73507E-02 -0.99438E-04 308 0.699E-02 0.419E-02
DAV: 20 -0.383356351531E+03 -0.51560E-02 -0.31397E-04 348 0.448E-02 0.508E-02
DAV: 21 -0.383361612927E+03 -0.52614E-02 -0.28065E-04 316 0.476E-02 0.388E-02
DAV: 22 -0.383364969732E+03 -0.33568E-02 -0.19281E-04 316 0.285E-02 0.243E-02
DAV: 23 -0.383366586160E+03 -0.16164E-02 -0.97908E-05 308 0.234E-02 0.837E-03
DAV: 24 -0.383367543393E+03 -0.95723E-03 -0.34135E-05 284 0.130E-02 0.909E-03
DAV: 25 -0.383368103621E+03 -0.56023E-03 -0.23120E-05 244 0.104E-02 0.717E-03
DAV: 26 -0.383368451890E+03 -0.34827E-03 -0.14758E-05 220 0.741E-03 0.344E-03
DAV: 27 -0.383368588213E+03 -0.13632E-03 -0.56139E-06 228 0.533E-03 0.197E-03
DAV: 28 -0.383368656791E+03 -0.68578E-04 -0.25052E-06 220 0.333E-03 0.244E-03
DAV: 29 -0.383368709612E+03 -0.52821E-04 -0.21274E-06 212 0.323E-03 0.123E-03
DAV: 30 -0.383368727976E+03 -0.18364E-04 -0.13318E-06 228 0.253E-03 0.183E-03
DAV: 31 -0.383368738176E+03 -0.10200E-04 -0.47384E-07 212 0.168E-03 0.101E-03
DAV: 32 -0.383368744043E+03 -0.58667E-05 -0.57753E-07 228 0.193E-03
1 F= -.38336874E+03 E0= -.38338209E+03 d E =0.400467E-01