iterations/neb0_image05_iter74_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 0.145148185743E+04 0.14515E+04 -0.44217E+04 330 0.697E+02
DAV: 2 0.231958657448E+03 -0.12195E+04 -0.11437E+04 417 0.163E+02
DAV: 3 -0.361488820745E+03 -0.59345E+03 -0.59015E+03 345 0.115E+02
DAV: 4 -0.433260931897E+03 -0.71772E+02 -0.71526E+02 309 0.515E+01
DAV: 5 -0.434904573901E+03 -0.16436E+01 -0.16408E+01 327 0.796E+00 0.427E+01
DAV: 6 -0.388734160793E+03 0.46170E+02 -0.14768E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385278647862E+03 0.34555E+01 -0.14172E+01 345 0.791E+00 0.104E+01
DAV: 8 -0.383824598375E+03 0.14540E+01 -0.20456E+00 327 0.393E+00 0.452E+00
DAV: 9 -0.383306686725E+03 0.51791E+00 -0.26498E+00 372 0.270E+00 0.155E+00
DAV: 10 -0.383210200405E+03 0.96486E-01 -0.27818E-01 327 0.115E+00 0.112E+00
DAV: 11 -0.383186193220E+03 0.24007E-01 -0.93409E-02 327 0.699E-01 0.831E-01
DAV: 12 -0.383157512963E+03 0.28680E-01 -0.50566E-02 327 0.497E-01 0.580E-01
DAV: 13 -0.383146117761E+03 0.11395E-01 -0.51473E-02 354 0.460E-01 0.516E-01
DAV: 14 -0.383132357558E+03 0.13760E-01 -0.12490E-02 309 0.320E-01 0.344E-01
DAV: 15 -0.383144585000E+03 -0.12227E-01 -0.10482E-01 345 0.526E-01 0.111E+00
DAV: 16 -0.383128764253E+03 0.15821E-01 -0.62837E-02 327 0.339E-01 0.303E-01
DAV: 17 -0.383135612571E+03 -0.68483E-02 -0.94140E-03 291 0.225E-01 0.220E-01
DAV: 18 -0.383141641334E+03 -0.60288E-02 -0.24054E-03 318 0.135E-01 0.205E-01
DAV: 19 -0.383154484802E+03 -0.12843E-01 -0.19044E-03 309 0.145E-01 0.158E-01
DAV: 20 -0.383160469477E+03 -0.59847E-02 -0.14140E-03 327 0.115E-01 0.537E-02
DAV: 21 -0.383166092751E+03 -0.56233E-02 -0.62962E-04 309 0.725E-02 0.430E-02
DAV: 22 -0.383170145613E+03 -0.40529E-02 -0.16591E-04 327 0.350E-02 0.581E-02
DAV: 23 -0.383175376200E+03 -0.52306E-02 -0.32202E-04 309 0.351E-02 0.179E-02
DAV: 24 -0.383176987645E+03 -0.16114E-02 -0.80023E-05 336 0.197E-02 0.163E-02
DAV: 25 -0.383177467993E+03 -0.48035E-03 -0.19387E-05 246 0.119E-02 0.145E-02
DAV: 26 -0.383178672262E+03 -0.12043E-02 -0.51067E-05 264 0.137E-02 0.111E-02
DAV: 27 -0.383179052881E+03 -0.38062E-03 -0.12392E-05 237 0.788E-03 0.592E-03
DAV: 28 -0.383179284264E+03 -0.23138E-03 -0.79573E-06 210 0.644E-03 0.242E-03
DAV: 29 -0.383179446012E+03 -0.16175E-03 -0.64323E-06 219 0.516E-03 0.281E-03
DAV: 30 -0.383179488073E+03 -0.42061E-04 -0.19189E-06 237 0.382E-03 0.352E-03
DAV: 31 -0.383179548807E+03 -0.60733E-04 -0.42334E-06 192 0.493E-03 0.278E-03
DAV: 32 -0.383179551240E+03 -0.24333E-05 -0.78911E-07 237 0.238E-03
1 F= -.38317955E+03 E0= -.38319652E+03 d E =0.509026E-01