iterations/neb0_image05_iter5_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 0.145032333433E+04 0.14503E+04 -0.44209E+04 330 0.697E+02
DAV: 2 0.232721408324E+03 -0.12176E+04 -0.11428E+04 417 0.163E+02
DAV: 3 -0.364742426107E+03 -0.59746E+03 -0.59418E+03 354 0.114E+02
DAV: 4 -0.433235774369E+03 -0.68493E+02 -0.68258E+02 309 0.495E+01
DAV: 5 -0.434742538736E+03 -0.15068E+01 -0.15040E+01 327 0.763E+00 0.426E+01
DAV: 6 -0.388921085544E+03 0.45821E+02 -0.14798E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385492242248E+03 0.34288E+01 -0.13490E+01 345 0.781E+00 0.104E+01
DAV: 8 -0.384038905625E+03 0.14533E+01 -0.24122E+00 336 0.390E+00 0.437E+00
DAV: 9 -0.383499194394E+03 0.53971E+00 -0.16231E+00 327 0.244E+00 0.130E+00
DAV: 10 -0.383415570210E+03 0.83624E-01 -0.16179E-01 327 0.114E+00 0.105E+00
DAV: 11 -0.383397351797E+03 0.18218E-01 -0.43413E-01 336 0.102E+00 0.758E-01
DAV: 12 -0.383371612523E+03 0.25739E-01 -0.45901E-02 318 0.528E-01 0.711E-01
DAV: 13 -0.383361490967E+03 0.10122E-01 -0.71943E-02 345 0.392E-01 0.620E-01
DAV: 14 -0.383349955735E+03 0.11535E-01 -0.92362E-02 354 0.460E-01 0.595E-01
DAV: 15 -0.383342043697E+03 0.79120E-02 -0.60010E-02 336 0.435E-01 0.318E-01
DAV: 16 -0.383343502625E+03 -0.14589E-02 -0.91994E-03 300 0.286E-01 0.285E-01
DAV: 17 -0.383345018492E+03 -0.15159E-02 -0.35788E-03 327 0.160E-01 0.196E-01
DAV: 18 -0.383354988899E+03 -0.99704E-02 -0.50025E-03 282 0.191E-01 0.212E-01
DAV: 19 -0.383362861170E+03 -0.78723E-02 -0.40454E-03 336 0.147E-01 0.132E-01
DAV: 20 -0.383374047158E+03 -0.11186E-01 -0.31548E-03 309 0.162E-01 0.112E-01
DAV: 21 -0.383380114058E+03 -0.60669E-02 -0.14957E-03 327 0.935E-02 0.657E-02
DAV: 22 -0.383382236318E+03 -0.21223E-02 -0.20301E-04 336 0.385E-02 0.617E-02
DAV: 23 -0.383384760552E+03 -0.25242E-02 -0.89524E-05 318 0.233E-02 0.620E-02
DAV: 24 -0.383389834801E+03 -0.50742E-02 -0.59518E-04 300 0.450E-02 0.415E-02
DAV: 25 -0.383391465194E+03 -0.16304E-02 -0.13051E-04 318 0.248E-02 0.325E-02
DAV: 26 -0.383392327146E+03 -0.86195E-03 -0.90022E-05 309 0.207E-02 0.153E-02
DAV: 27 -0.383392611958E+03 -0.28481E-03 -0.10891E-05 246 0.908E-03 0.951E-03
DAV: 28 -0.383393408023E+03 -0.79607E-03 -0.42418E-05 264 0.117E-02 0.841E-03
DAV: 29 -0.383393575423E+03 -0.16740E-03 -0.57743E-06 228 0.561E-03 0.385E-03
DAV: 30 -0.383393666848E+03 -0.91425E-04 -0.41927E-06 237 0.469E-03 0.288E-03
DAV: 31 -0.383393749183E+03 -0.82335E-04 -0.18982E-06 210 0.348E-03 0.223E-03
DAV: 32 -0.383393815006E+03 -0.65823E-04 -0.34651E-06 219 0.475E-03 0.331E-03
DAV: 33 -0.383393829609E+03 -0.14603E-04 -0.13581E-06 237 0.264E-03 0.160E-03
DAV: 34 -0.383393842643E+03 -0.13034E-04 -0.79297E-07 201 0.204E-03 0.226E-03
DAV: 35 -0.383393850852E+03 -0.82095E-05 -0.48139E-07 228 0.150E-03
1 F= -.38339385E+03 E0= -.38341063E+03 d E =0.503388E-01