./iterations/neb0_image09_iter271_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 0.373979263033E+03 0.37398E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.327069965381E+01 -0.37071E+03 -0.35808E+03 869 0.196E+02
DAV: 3 -0.966469448424E+02 -0.99918E+02 -0.99589E+02 656 0.117E+02
DAV: 4 -0.101259079013E+03 -0.46121E+01 -0.46013E+01 720 0.291E+01
DAV: 5 -0.101350450969E+03 -0.91372E-01 -0.91335E-01 728 0.370E+00 0.227E+01
DAV: 6 -0.926754630963E+02 0.86750E+01 -0.30970E+01 728 0.300E+01 0.119E+01
DAV: 7 -0.918093761531E+02 0.86609E+00 -0.17172E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914347647424E+02 0.37461E+00 -0.54425E-01 712 0.396E+00 0.162E+00
DAV: 9 -0.913541063501E+02 0.80658E-01 -0.13154E-01 712 0.154E+00 0.421E-01
DAV: 10 -0.913459819266E+02 0.81244E-02 -0.44216E-02 760 0.107E+00 0.300E-01
DAV: 11 -0.913506178145E+02 -0.46359E-02 -0.12616E-02 608 0.584E-01 0.140E-01
DAV: 12 -0.913536285136E+02 -0.30107E-02 -0.27701E-03 620 0.228E-01 0.110E-01
DAV: 13 -0.913572866709E+02 -0.36582E-02 -0.18767E-03 717 0.228E-01 0.435E-02
DAV: 14 -0.913606236204E+02 -0.33369E-02 -0.54554E-04 672 0.128E-01 0.273E-02
DAV: 15 -0.913619417133E+02 -0.13181E-02 -0.11527E-04 688 0.633E-02 0.267E-02
DAV: 16 -0.913632164133E+02 -0.12747E-02 -0.27763E-04 653 0.863E-02 0.191E-02
DAV: 17 -0.913634151328E+02 -0.19872E-03 -0.32944E-05 624 0.469E-02 0.117E-02
DAV: 18 -0.913636426118E+02 -0.22748E-03 -0.51557E-05 634 0.377E-02 0.102E-02
DAV: 19 -0.913637485357E+02 -0.10592E-03 -0.99440E-06 456 0.206E-02 0.477E-03
DAV: 20 -0.913637866224E+02 -0.38087E-04 -0.15098E-05 469 0.213E-02 0.341E-03
DAV: 21 -0.913638035907E+02 -0.16968E-04 -0.27289E-06 437 0.969E-03 0.215E-03
DAV: 22 -0.913638062901E+02 -0.26995E-05 -0.15581E-06 498 0.723E-03
1 F= -.91363806E+02 E0= -.91368598E+02 d E =0.143759E-01