iterations/neb0_image03_iter17_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 0.161852390160E+04 0.16185E+04 -0.42276E+04 306 0.697E+02
DAV: 2 0.297633635043E+03 -0.13209E+04 -0.12436E+04 420 0.168E+02
DAV: 3 -0.357359214375E+03 -0.65499E+03 -0.65139E+03 364 0.123E+02
DAV: 4 -0.433426984552E+03 -0.76068E+02 -0.75749E+02 316 0.521E+01
DAV: 5 -0.435166123658E+03 -0.17391E+01 -0.17369E+01 332 0.800E+00 0.427E+01
DAV: 6 -0.389097626612E+03 0.46068E+02 -0.15145E+02 308 0.287E+01 0.208E+01
DAV: 7 -0.385598600299E+03 0.34990E+01 -0.12321E+01 340 0.767E+00 0.104E+01
DAV: 8 -0.384151831952E+03 0.14468E+01 -0.25212E+00 332 0.386E+00 0.430E+00
DAV: 9 -0.383579255416E+03 0.57258E+00 -0.61594E-01 324 0.194E+00 0.969E-01
DAV: 10 -0.383520475634E+03 0.58780E-01 -0.14844E-01 340 0.957E-01 0.722E-01
DAV: 11 -0.383501629849E+03 0.18846E-01 -0.32359E-02 332 0.429E-01 0.478E-01
DAV: 12 -0.383486656889E+03 0.14973E-01 -0.89625E-02 316 0.461E-01 0.614E-01
DAV: 13 -0.383479500255E+03 0.71566E-02 -0.53042E-02 324 0.292E-01 0.249E-01
DAV: 14 -0.383482618767E+03 -0.31185E-02 -0.28752E-02 324 0.307E-01 0.392E-01
DAV: 15 -0.383483836006E+03 -0.12172E-02 -0.66028E-03 308 0.205E-01 0.203E-01
DAV: 16 -0.383495712391E+03 -0.11876E-01 -0.69174E-03 292 0.177E-01 0.114E-01
DAV: 17 -0.383509339596E+03 -0.13627E-01 -0.37930E-03 292 0.168E-01 0.111E-01
DAV: 18 -0.383518495365E+03 -0.91558E-02 -0.16610E-03 324 0.989E-02 0.554E-02
DAV: 19 -0.383525246937E+03 -0.67516E-02 -0.40381E-04 308 0.503E-02 0.304E-02
DAV: 20 -0.383531160819E+03 -0.59139E-02 -0.27446E-04 324 0.321E-02 0.198E-02
DAV: 21 -0.383535759773E+03 -0.45990E-02 -0.24787E-04 300 0.327E-02 0.156E-02
DAV: 22 -0.383537895581E+03 -0.21358E-02 -0.11146E-04 316 0.199E-02 0.102E-02
DAV: 23 -0.383539043496E+03 -0.11479E-02 -0.57018E-05 292 0.182E-02 0.530E-03
DAV: 24 -0.383539564936E+03 -0.52144E-03 -0.25176E-05 260 0.103E-02 0.509E-03
DAV: 25 -0.383539718902E+03 -0.15397E-03 -0.42740E-06 228 0.538E-03 0.308E-03
DAV: 26 -0.383539881016E+03 -0.16211E-03 -0.62535E-06 212 0.543E-03 0.189E-03
DAV: 27 -0.383539957111E+03 -0.76095E-04 -0.23470E-06 212 0.312E-03 0.129E-03
DAV: 28 -0.383540007783E+03 -0.50672E-04 -0.19969E-06 220 0.307E-03 0.705E-04
DAV: 29 -0.383540031661E+03 -0.23878E-04 -0.11023E-06 212 0.186E-03 0.652E-04
DAV: 30 -0.383540037727E+03 -0.60659E-05 -0.37547E-07 228 0.143E-03
1 F= -.38354004E+03 E0= -.38355316E+03 d E =0.393660E-01