iterations/neb0_image03_iter26_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.161850222544E+04 0.16185E+04 -0.42276E+04 306 0.697E+02
DAV: 2 0.297631153832E+03 -0.13209E+04 -0.12436E+04 420 0.168E+02
DAV: 3 -0.362737455264E+03 -0.66037E+03 -0.65724E+03 372 0.123E+02
DAV: 4 -0.433651078579E+03 -0.70914E+02 -0.70656E+02 316 0.506E+01
DAV: 5 -0.435160040543E+03 -0.15090E+01 -0.15068E+01 324 0.768E+00 0.427E+01
DAV: 6 -0.389102922876E+03 0.46057E+02 -0.15074E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385597821089E+03 0.35051E+01 -0.12395E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384158607646E+03 0.14392E+01 -0.26921E+00 340 0.388E+00 0.433E+00
DAV: 9 -0.383599764687E+03 0.55884E+00 -0.83309E-01 324 0.201E+00 0.116E+00
DAV: 10 -0.383538383976E+03 0.61381E-01 -0.36729E-01 340 0.105E+00 0.834E-01
DAV: 11 -0.383509142356E+03 0.29242E-01 -0.32459E-02 316 0.492E-01 0.680E-01
DAV: 12 -0.383510101487E+03 -0.95913E-03 -0.36323E-01 396 0.726E-01 0.105E+00
DAV: 13 -0.383485284669E+03 0.24817E-01 -0.19764E-01 316 0.488E-01 0.883E-01
DAV: 14 -0.383477569237E+03 0.77154E-02 -0.43478E-02 372 0.266E-01 0.358E-01
DAV: 15 -0.383481771481E+03 -0.42022E-02 -0.10156E-02 308 0.268E-01 0.257E-01
DAV: 16 -0.383489073375E+03 -0.73019E-02 -0.62410E-03 316 0.204E-01 0.249E-01
DAV: 17 -0.383499509920E+03 -0.10437E-01 -0.13694E-02 308 0.180E-01 0.153E-01
DAV: 18 -0.383511923228E+03 -0.12413E-01 -0.34655E-03 300 0.160E-01 0.163E-01
DAV: 19 -0.383519678790E+03 -0.77556E-02 -0.15230E-03 324 0.102E-01 0.103E-01
DAV: 20 -0.383524430514E+03 -0.47517E-02 -0.82896E-04 324 0.631E-02 0.466E-02
DAV: 21 -0.383531384672E+03 -0.69542E-02 -0.70028E-04 348 0.567E-02 0.284E-02
DAV: 22 -0.383534460468E+03 -0.30758E-02 -0.10812E-04 308 0.252E-02 0.252E-02
DAV: 23 -0.383536710163E+03 -0.22497E-02 -0.10702E-04 308 0.225E-02 0.149E-02
DAV: 24 -0.383538635083E+03 -0.19249E-02 -0.11838E-04 300 0.208E-02 0.134E-02
DAV: 25 -0.383539035527E+03 -0.40044E-03 -0.18041E-05 244 0.998E-03 0.644E-03
DAV: 26 -0.383539592818E+03 -0.55729E-03 -0.28084E-05 252 0.968E-03 0.650E-03
DAV: 27 -0.383539804754E+03 -0.21194E-03 -0.76567E-06 228 0.517E-03 0.307E-03
DAV: 28 -0.383539918778E+03 -0.11402E-03 -0.61979E-06 204 0.453E-03 0.216E-03
DAV: 29 -0.383539969968E+03 -0.51189E-04 -0.19166E-06 228 0.277E-03 0.144E-03
DAV: 30 -0.383539998753E+03 -0.28786E-04 -0.10715E-06 204 0.187E-03 0.751E-04
DAV: 31 -0.383540017361E+03 -0.18608E-04 -0.86384E-07 220 0.193E-03 0.793E-04
DAV: 32 -0.383540025461E+03 -0.80994E-05 -0.36506E-07 220 0.123E-03
1 F= -.38354003E+03 E0= -.38355319E+03 d E =0.394837E-01