iterations/neb0_image09_iter108_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 0.374882880275E+03 0.37488E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.249394496482E+01 -0.37239E+03 -0.36005E+03 877 0.196E+02
DAV: 3 -0.968325143501E+02 -0.99326E+02 -0.98992E+02 664 0.117E+02
DAV: 4 -0.101262394891E+03 -0.44299E+01 -0.44208E+01 696 0.285E+01
DAV: 5 -0.101349072545E+03 -0.86678E-01 -0.86639E-01 736 0.361E+00 0.227E+01
DAV: 6 -0.926761650759E+02 0.86729E+01 -0.30894E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918035933694E+02 0.87257E+00 -0.17159E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914261625705E+02 0.37743E+00 -0.54319E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913437068912E+02 0.82456E-01 -0.13135E-01 712 0.155E+00 0.425E-01
DAV: 10 -0.913348874212E+02 0.88195E-02 -0.46040E-02 784 0.113E+00 0.304E-01
DAV: 11 -0.913392894528E+02 -0.44020E-02 -0.12945E-02 616 0.595E-01 0.141E-01
DAV: 12 -0.913422704848E+02 -0.29810E-02 -0.29725E-03 631 0.240E-01 0.117E-01
DAV: 13 -0.913461533095E+02 -0.38828E-02 -0.17346E-03 720 0.228E-01 0.433E-02
DAV: 14 -0.913494080103E+02 -0.32547E-02 -0.51747E-04 661 0.121E-01 0.339E-02
DAV: 15 -0.913510754249E+02 -0.16674E-02 -0.14024E-04 672 0.667E-02 0.322E-02
DAV: 16 -0.913523462913E+02 -0.12709E-02 -0.34003E-04 658 0.907E-02 0.208E-02
DAV: 17 -0.913525776567E+02 -0.23137E-03 -0.48510E-05 656 0.505E-02 0.116E-02
DAV: 18 -0.913528381177E+02 -0.26046E-03 -0.49141E-05 553 0.312E-02 0.104E-02
DAV: 19 -0.913528907225E+02 -0.52605E-04 -0.57663E-06 496 0.176E-02 0.550E-03
DAV: 20 -0.913529284138E+02 -0.37691E-04 -0.22019E-05 493 0.285E-02 0.602E-03
DAV: 21 -0.913529418652E+02 -0.13451E-04 -0.29071E-06 472 0.129E-02 0.386E-03
DAV: 22 -0.913529482627E+02 -0.63975E-05 -0.32745E-06 426 0.976E-03
1 F= -.91352948E+02 E0= -.91357640E+02 d E =0.140746E-01