iterations/neb0_image08_iter52_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 0.144246560851E+04 0.14425E+04 -0.44199E+04 330 0.697E+02
DAV: 2 0.227199395090E+03 -0.12153E+04 -0.11414E+04 426 0.163E+02
DAV: 3 -0.364726307842E+03 -0.59193E+03 -0.58846E+03 363 0.114E+02
DAV: 4 -0.429975107041E+03 -0.65249E+02 -0.64986E+02 309 0.472E+01
DAV: 5 -0.431404469613E+03 -0.14294E+01 -0.14266E+01 327 0.734E+00 0.423E+01
DAV: 6 -0.386278444258E+03 0.45126E+02 -0.14831E+02 309 0.285E+01 0.207E+01
DAV: 7 -0.382910103736E+03 0.33683E+01 -0.12009E+01 327 0.773E+00 0.103E+01
DAV: 8 -0.381498042968E+03 0.14121E+01 -0.18689E+00 336 0.376E+00 0.417E+00
DAV: 9 -0.380936823879E+03 0.56122E+00 -0.53739E-01 327 0.181E+00 0.875E-01
DAV: 10 -0.380880047196E+03 0.56777E-01 -0.10868E-01 354 0.894E-01 0.658E-01
DAV: 11 -0.380860610782E+03 0.19436E-01 -0.25239E-02 318 0.405E-01 0.441E-01
DAV: 12 -0.380836382345E+03 0.24228E-01 -0.18032E-02 309 0.372E-01 0.219E-01
DAV: 13 -0.380830884433E+03 0.54979E-02 -0.13133E-02 318 0.361E-01 0.182E-01
DAV: 14 -0.380844051303E+03 -0.13167E-01 -0.17734E-02 318 0.441E-01 0.213E-01
DAV: 15 -0.380848348520E+03 -0.42972E-02 -0.54971E-03 309 0.225E-01 0.150E-01
DAV: 16 -0.380857048951E+03 -0.87004E-02 -0.47915E-03 318 0.150E-01 0.127E-01
DAV: 17 -0.380865961838E+03 -0.89129E-02 -0.26075E-03 309 0.124E-01 0.674E-02
DAV: 18 -0.380868751090E+03 -0.27893E-02 -0.53143E-04 336 0.571E-02 0.466E-02
DAV: 19 -0.380874928672E+03 -0.61776E-02 -0.46150E-04 282 0.485E-02 0.461E-02
DAV: 20 -0.380883354036E+03 -0.84254E-02 -0.93344E-04 327 0.601E-02 0.282E-02
DAV: 21 -0.380884348625E+03 -0.99459E-03 -0.62936E-05 327 0.221E-02 0.172E-02
DAV: 22 -0.380885991835E+03 -0.16432E-02 -0.11584E-04 309 0.267E-02 0.114E-02
DAV: 23 -0.380886721843E+03 -0.73001E-03 -0.17334E-05 246 0.128E-02 0.650E-03
DAV: 24 -0.380887477127E+03 -0.75528E-03 -0.42860E-05 282 0.133E-02 0.413E-03
DAV: 25 -0.380887751861E+03 -0.27473E-03 -0.60727E-06 228 0.763E-03 0.251E-03
DAV: 26 -0.380887945939E+03 -0.19408E-03 -0.10100E-05 219 0.743E-03 0.438E-03
DAV: 27 -0.380888018300E+03 -0.72360E-04 -0.25596E-06 228 0.458E-03 0.292E-03
DAV: 28 -0.380888061449E+03 -0.43149E-04 -0.49862E-06 210 0.693E-03 0.221E-03
DAV: 29 -0.380888083209E+03 -0.21760E-04 -0.15775E-06 219 0.326E-03 0.193E-03
DAV: 30 -0.380888097836E+03 -0.14627E-04 -0.77071E-07 219 0.171E-03 0.205E-03
DAV: 31 -0.380888101857E+03 -0.40207E-05 -0.28311E-07 228 0.179E-03
1 F= -.38088810E+03 E0= -.38089673E+03 d E =0.258933E-01