iterations/neb0_image02_iter103_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 0.364851945638E+03 0.36485E+03 -0.14328E+04 632 0.799E+02
DAV: 2 0.407238899253E+01 -0.36078E+03 -0.34609E+03 834 0.194E+02
DAV: 3 -0.954987884309E+02 -0.99571E+02 -0.99238E+02 672 0.116E+02
DAV: 4 -0.100174812851E+03 -0.46760E+01 -0.46651E+01 704 0.286E+01
DAV: 5 -0.100267186279E+03 -0.92373E-01 -0.92330E-01 736 0.360E+00 0.222E+01
DAV: 6 -0.916633042295E+02 0.86039E+01 -0.30886E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908433882338E+02 0.81992E+00 -0.18242E+00 704 0.632E+00 0.483E+00
DAV: 8 -0.904583228170E+02 0.38507E+00 -0.55635E-01 688 0.426E+00 0.169E+00
DAV: 9 -0.903689846050E+02 0.89338E-01 -0.13859E-01 704 0.166E+00 0.433E-01
DAV: 10 -0.903627292320E+02 0.62554E-02 -0.47721E-02 704 0.128E+00 0.323E-01
DAV: 11 -0.903663654598E+02 -0.36362E-02 -0.72617E-03 616 0.494E-01 0.146E-01
DAV: 12 -0.903697280142E+02 -0.33626E-02 -0.72396E-03 621 0.466E-01 0.131E-01
DAV: 13 -0.903725158580E+02 -0.27878E-02 -0.15444E-03 976 0.333E-01 0.807E-02
DAV: 14 -0.903755480185E+02 -0.30322E-02 -0.13372E-03 634 0.174E-01 0.579E-02
DAV: 15 -0.903778380765E+02 -0.22901E-02 -0.40579E-04 672 0.114E-01 0.431E-02
DAV: 16 -0.903791998668E+02 -0.13618E-02 -0.62874E-04 656 0.141E-01 0.320E-02
DAV: 17 -0.903800911018E+02 -0.89123E-03 -0.15108E-04 714 0.818E-02 0.204E-02
DAV: 18 -0.903802562420E+02 -0.16514E-03 -0.47694E-05 712 0.356E-02 0.987E-03
DAV: 19 -0.903804676989E+02 -0.21146E-03 -0.30871E-05 540 0.269E-02 0.326E-03
DAV: 20 -0.903805199050E+02 -0.52206E-04 -0.44091E-06 480 0.117E-02 0.394E-03
DAV: 21 -0.903805674838E+02 -0.47579E-04 -0.76166E-06 420 0.163E-02 0.462E-03
DAV: 22 -0.903805820903E+02 -0.14607E-04 -0.35313E-06 477 0.113E-02 0.315E-03
DAV: 23 -0.903805835952E+02 -0.15049E-05 -0.31341E-06 544 0.103E-02
1 F= -.90380584E+02 E0= -.90386374E+02 d E =0.173715E-01