./iterations/neb0_image05_iter20_OSZICAR.out output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.145035377437E+04 0.14504E+04 -0.44212E+04 330 0.697E+02
DAV: 2 0.232508028233E+03 -0.12178E+04 -0.11428E+04 417 0.163E+02
DAV: 3 -0.361053268642E+03 -0.59356E+03 -0.59033E+03 345 0.114E+02
DAV: 4 -0.433151274025E+03 -0.72098E+02 -0.71853E+02 309 0.515E+01
DAV: 5 -0.434798504638E+03 -0.16472E+01 -0.16444E+01 318 0.797E+00 0.426E+01
DAV: 6 -0.388961707722E+03 0.45837E+02 -0.14711E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385509256667E+03 0.34525E+01 -0.13407E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384039878014E+03 0.14694E+01 -0.19845E+00 345 0.383E+00 0.428E+00
DAV: 9 -0.383491071616E+03 0.54881E+00 -0.74923E-01 336 0.215E+00 0.111E+00
DAV: 10 -0.383436514459E+03 0.54557E-01 -0.29211E-01 327 0.972E-01 0.110E+00
DAV: 11 -0.383411157677E+03 0.25357E-01 -0.22901E-01 327 0.585E-01 0.722E-01
DAV: 12 -0.383386147111E+03 0.25011E-01 -0.34770E-02 318 0.420E-01 0.560E-01
DAV: 13 -0.383373923957E+03 0.12223E-01 -0.75498E-02 381 0.450E-01 0.534E-01
DAV: 14 -0.383362912064E+03 0.11012E-01 -0.45612E-02 345 0.431E-01 0.313E-01
DAV: 15 -0.383365370271E+03 -0.24582E-02 -0.87950E-03 300 0.328E-01 0.143E-01
DAV: 16 -0.383377310062E+03 -0.11940E-01 -0.67483E-03 291 0.262E-01 0.104E-01
DAV: 17 -0.383385748702E+03 -0.84386E-02 -0.23721E-03 318 0.145E-01 0.789E-02
DAV: 18 -0.383393815580E+03 -0.80669E-02 -0.63597E-04 318 0.732E-02 0.673E-02
DAV: 19 -0.383403120852E+03 -0.93053E-02 -0.63196E-04 309 0.665E-02 0.345E-02
DAV: 20 -0.383409776064E+03 -0.66552E-02 -0.54338E-04 327 0.567E-02 0.267E-02
DAV: 21 -0.383412710522E+03 -0.29345E-02 -0.12675E-04 336 0.273E-02 0.179E-02
DAV: 22 -0.383414626327E+03 -0.19158E-02 -0.61070E-05 282 0.170E-02 0.100E-02
DAV: 23 -0.383416889112E+03 -0.22628E-02 -0.14949E-04 291 0.215E-02 0.104E-02
DAV: 24 -0.383417228585E+03 -0.33947E-03 -0.97577E-06 237 0.828E-03 0.622E-03
DAV: 25 -0.383417663229E+03 -0.43464E-03 -0.20756E-05 228 0.862E-03 0.457E-03
DAV: 26 -0.383417816244E+03 -0.15301E-03 -0.36027E-06 228 0.493E-03 0.349E-03
DAV: 27 -0.383417962496E+03 -0.14625E-03 -0.45297E-06 210 0.448E-03 0.173E-03
DAV: 28 -0.383418022616E+03 -0.60121E-04 -0.27409E-06 228 0.404E-03 0.152E-03
DAV: 29 -0.383418058605E+03 -0.35989E-04 -0.11768E-06 210 0.245E-03 0.103E-03
DAV: 30 -0.383418072033E+03 -0.13428E-04 -0.75699E-07 228 0.184E-03 0.808E-04
DAV: 31 -0.383418079437E+03 -0.74034E-05 -0.26280E-07 210 0.115E-03
1 F= -.38341808E+03 E0= -.38343094E+03 d E =0.385846E-01