iterations/neb0_image04_iter33_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 0.144938519008E+04 0.14494E+04 -0.44203E+04 330 0.697E+02
DAV: 2 0.224958471260E+03 -0.12244E+04 -0.11493E+04 435 0.163E+02
DAV: 3 -0.362555203441E+03 -0.58751E+03 -0.58426E+03 345 0.114E+02
DAV: 4 -0.433333716051E+03 -0.70779E+02 -0.70529E+02 309 0.508E+01
DAV: 5 -0.434928048426E+03 -0.15943E+01 -0.15917E+01 318 0.784E+00 0.426E+01
DAV: 6 -0.389038238779E+03 0.45890E+02 -0.14773E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385581982005E+03 0.34563E+01 -0.13441E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.384119518905E+03 0.14625E+01 -0.22840E+00 327 0.387E+00 0.435E+00
DAV: 9 -0.383579075698E+03 0.54044E+00 -0.16035E+00 336 0.240E+00 0.129E+00
DAV: 10 -0.383499555599E+03 0.79520E-01 -0.17756E-01 327 0.112E+00 0.906E-01
DAV: 11 -0.383467730046E+03 0.31826E-01 -0.93188E-02 336 0.698E-01 0.670E-01
DAV: 12 -0.383455790682E+03 0.11939E-01 -0.10301E-01 363 0.594E-01 0.692E-01
DAV: 13 -0.383440603054E+03 0.15188E-01 -0.54367E-02 336 0.421E-01 0.673E-01
DAV: 14 -0.383433091894E+03 0.75112E-02 -0.10166E-01 363 0.412E-01 0.508E-01
DAV: 15 -0.383429391528E+03 0.37004E-02 -0.30547E-02 318 0.404E-01 0.431E-01
DAV: 16 -0.383429693822E+03 -0.30229E-03 -0.26202E-02 318 0.252E-01 0.241E-01
DAV: 17 -0.383435084907E+03 -0.53911E-02 -0.75152E-03 291 0.176E-01 0.213E-01
DAV: 18 -0.383446771214E+03 -0.11686E-01 -0.67088E-03 309 0.177E-01 0.142E-01
DAV: 19 -0.383452482437E+03 -0.57112E-02 -0.16637E-03 336 0.134E-01 0.132E-01
DAV: 20 -0.383460940623E+03 -0.84582E-02 -0.23160E-03 300 0.112E-01 0.105E-01
DAV: 21 -0.383467181636E+03 -0.62410E-02 -0.81805E-04 318 0.846E-02 0.430E-02
DAV: 22 -0.383470011003E+03 -0.28294E-02 -0.25376E-04 327 0.373E-02 0.352E-02
DAV: 23 -0.383474912978E+03 -0.49020E-02 -0.36567E-04 300 0.396E-02 0.259E-02
DAV: 24 -0.383477188610E+03 -0.22756E-02 -0.13349E-04 327 0.218E-02 0.271E-02
DAV: 25 -0.383478216612E+03 -0.10280E-02 -0.76595E-05 309 0.183E-02 0.132E-02
DAV: 26 -0.383479055174E+03 -0.83856E-03 -0.37505E-05 282 0.123E-02 0.916E-03
DAV: 27 -0.383479481077E+03 -0.42590E-03 -0.10102E-05 237 0.677E-03 0.819E-03
DAV: 28 -0.383479815774E+03 -0.33470E-03 -0.18956E-05 237 0.653E-03 0.309E-03
DAV: 29 -0.383479908897E+03 -0.93123E-04 -0.20957E-06 237 0.375E-03 0.213E-03
DAV: 30 -0.383480029939E+03 -0.12104E-03 -0.41216E-06 201 0.441E-03 0.238E-03
DAV: 31 -0.383480049931E+03 -0.19993E-04 -0.11355E-06 228 0.229E-03 0.147E-03
DAV: 32 -0.383480064511E+03 -0.14579E-04 -0.57066E-07 210 0.159E-03 0.668E-04
DAV: 33 -0.383480081957E+03 -0.17446E-04 -0.64172E-07 201 0.145E-03 0.747E-04
DAV: 34 -0.383480086763E+03 -0.48060E-05 -0.20433E-07 228 0.852E-04
1 F= -.38348009E+03 E0= -.38349684E+03 d E =0.502566E-01