iterations/neb0_image05_iter231_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.366082743493E+03 0.36608E+03 -0.14287E+04 624 0.799E+02
DAV: 2 0.270758827625E+01 -0.36338E+03 -0.35003E+03 861 0.195E+02
DAV: 3 -0.953795303857E+02 -0.98087E+02 -0.97744E+02 672 0.116E+02
DAV: 4 -0.998755335690E+02 -0.44960E+01 -0.44854E+01 704 0.283E+01
DAV: 5 -0.999651654131E+02 -0.89632E-01 -0.89590E-01 736 0.358E+00 0.220E+01
DAV: 6 -0.915028168959E+02 0.84623E+01 -0.30725E+01 712 0.298E+01 0.116E+01
DAV: 7 -0.907040279086E+02 0.79879E+00 -0.17282E+00 720 0.630E+00 0.481E+00
DAV: 8 -0.903299812416E+02 0.37405E+00 -0.53862E-01 720 0.427E+00 0.167E+00
DAV: 9 -0.902448665496E+02 0.85115E-01 -0.12919E-01 704 0.172E+00 0.434E-01
DAV: 10 -0.902384553753E+02 0.64112E-02 -0.42391E-02 728 0.118E+00 0.327E-01
DAV: 11 -0.902408064212E+02 -0.23510E-02 -0.58007E-03 608 0.598E-01 0.152E-01
DAV: 12 -0.902438195271E+02 -0.30131E-02 -0.81704E-03 610 0.493E-01 0.154E-01
DAV: 13 -0.902451953535E+02 -0.13758E-02 -0.25147E-03 864 0.330E-01 0.797E-02
DAV: 14 -0.902498147954E+02 -0.46194E-02 -0.14374E-03 639 0.194E-01 0.508E-02
DAV: 15 -0.902517793087E+02 -0.19645E-02 -0.29180E-04 696 0.809E-02 0.392E-02
DAV: 16 -0.902541280395E+02 -0.23487E-02 -0.44931E-04 717 0.128E-01 0.202E-02
DAV: 17 -0.902548959863E+02 -0.76795E-03 -0.85554E-05 704 0.514E-02 0.216E-02
DAV: 18 -0.902552451982E+02 -0.34921E-03 -0.88318E-05 650 0.591E-02 0.887E-03
DAV: 19 -0.902555294695E+02 -0.28427E-03 -0.23170E-05 522 0.318E-02 0.394E-03
DAV: 20 -0.902556473816E+02 -0.11791E-03 -0.21124E-05 536 0.191E-02 0.368E-03
DAV: 21 -0.902556635278E+02 -0.16146E-04 -0.17178E-06 512 0.131E-02 0.185E-03
DAV: 22 -0.902556870374E+02 -0.23510E-04 -0.73549E-06 409 0.150E-02 0.443E-03
DAV: 23 -0.902556888194E+02 -0.17821E-05 -0.10151E-06 496 0.106E-02
1 F= -.90255689E+02 E0= -.90264146E+02 d E =0.253722E-01