iterations/neb0_image03_iter25_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 0.144886938120E+04 0.14489E+04 -0.44195E+04 330 0.697E+02
DAV: 2 0.224704684714E+03 -0.12242E+04 -0.11483E+04 435 0.163E+02
DAV: 3 -0.362488422693E+03 -0.58719E+03 -0.58361E+03 345 0.114E+02
DAV: 4 -0.433398652449E+03 -0.70910E+02 -0.70680E+02 309 0.508E+01
DAV: 5 -0.434988693329E+03 -0.15900E+01 -0.15873E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389048930369E+03 0.45940E+02 -0.14794E+02 318 0.285E+01 0.208E+01
DAV: 7 -0.385603675273E+03 0.34453E+01 -0.13688E+01 345 0.782E+00 0.104E+01
DAV: 8 -0.384130765234E+03 0.14729E+01 -0.20513E+00 336 0.385E+00 0.432E+00
DAV: 9 -0.383571486232E+03 0.55928E+00 -0.63995E-01 336 0.216E+00 0.123E+00
DAV: 10 -0.383512919218E+03 0.58567E-01 -0.40152E-01 327 0.102E+00 0.108E+00
DAV: 11 -0.383492049727E+03 0.20869E-01 -0.26975E-01 336 0.660E-01 0.101E+00
DAV: 12 -0.383471201074E+03 0.20849E-01 -0.11336E-01 345 0.434E-01 0.675E-01
DAV: 13 -0.383454918213E+03 0.16283E-01 -0.15149E-02 318 0.353E-01 0.440E-01
DAV: 14 -0.383442758934E+03 0.12159E-01 -0.44558E-02 309 0.464E-01 0.453E-01
DAV: 15 -0.383441709237E+03 0.10497E-02 -0.15269E-02 336 0.308E-01 0.176E-01
DAV: 16 -0.383447728353E+03 -0.60191E-02 -0.44784E-03 291 0.219E-01 0.148E-01
DAV: 17 -0.383458716607E+03 -0.10988E-01 -0.33207E-03 318 0.187E-01 0.836E-02
DAV: 18 -0.383470515924E+03 -0.11799E-01 -0.31296E-03 300 0.182E-01 0.625E-02
DAV: 19 -0.383480660262E+03 -0.10144E-01 -0.15209E-03 327 0.102E-01 0.536E-02
DAV: 20 -0.383483609789E+03 -0.29495E-02 -0.12042E-04 354 0.323E-02 0.449E-02
DAV: 21 -0.383491499427E+03 -0.78896E-02 -0.70249E-04 291 0.582E-02 0.232E-02
DAV: 22 -0.383493499500E+03 -0.20001E-02 -0.77077E-05 327 0.217E-02 0.239E-02
DAV: 23 -0.383495328887E+03 -0.18294E-02 -0.12639E-04 300 0.295E-02 0.114E-02
DAV: 24 -0.383496411239E+03 -0.10824E-02 -0.34286E-05 273 0.138E-02 0.906E-03
DAV: 25 -0.383497322846E+03 -0.91161E-03 -0.40956E-05 273 0.123E-02 0.601E-03
DAV: 26 -0.383497681814E+03 -0.35897E-03 -0.93620E-06 237 0.675E-03 0.345E-03
DAV: 27 -0.383497885733E+03 -0.20392E-03 -0.79118E-06 219 0.570E-03 0.215E-03
DAV: 28 -0.383497984798E+03 -0.99065E-04 -0.33604E-06 228 0.358E-03 0.207E-03
DAV: 29 -0.383498048005E+03 -0.63207E-04 -0.22285E-06 192 0.287E-03 0.131E-03
DAV: 30 -0.383498094541E+03 -0.46535E-04 -0.26563E-06 219 0.367E-03 0.123E-03
DAV: 31 -0.383498102595E+03 -0.80546E-05 -0.79476E-07 228 0.209E-03
1 F= -.38349810E+03 E0= -.38351463E+03 d E =0.495710E-01