iterations/neb0_image06_iter106_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 0.375668838552E+03 0.37567E+03 -0.14312E+04 632 0.799E+02
DAV: 2 0.383603173251E+01 -0.37183E+03 -0.35989E+03 877 0.195E+02
DAV: 3 -0.955342264389E+02 -0.99370E+02 -0.99043E+02 645 0.117E+02
DAV: 4 -0.100258902258E+03 -0.47247E+01 -0.47135E+01 704 0.294E+01
DAV: 5 -0.100356077571E+03 -0.97175E-01 -0.97126E-01 728 0.376E+00 0.226E+01
DAV: 6 -0.917660689495E+02 0.85900E+01 -0.30773E+01 695 0.304E+01 0.118E+01
DAV: 7 -0.909341070860E+02 0.83196E+00 -0.16992E+00 728 0.625E+00 0.480E+00
DAV: 8 -0.905549355346E+02 0.37917E+00 -0.52507E-01 720 0.404E+00 0.164E+00
DAV: 9 -0.904660740059E+02 0.88862E-01 -0.12953E-01 720 0.164E+00 0.421E-01
DAV: 10 -0.904565429562E+02 0.95310E-02 -0.45091E-02 736 0.112E+00 0.307E-01
DAV: 11 -0.904609224762E+02 -0.43795E-02 -0.13511E-02 613 0.644E-01 0.167E-01
DAV: 12 -0.904625699146E+02 -0.16474E-02 -0.23172E-03 682 0.275E-01 0.117E-01
DAV: 13 -0.904672738691E+02 -0.47040E-02 -0.35041E-03 692 0.411E-01 0.681E-02
DAV: 14 -0.904690396248E+02 -0.17658E-02 -0.63784E-04 720 0.151E-01 0.514E-02
DAV: 15 -0.904719180106E+02 -0.28784E-02 -0.82061E-04 639 0.166E-01 0.392E-02
DAV: 16 -0.904732131728E+02 -0.12952E-02 -0.18990E-04 685 0.709E-02 0.319E-02
DAV: 17 -0.904739050599E+02 -0.69189E-03 -0.11521E-04 703 0.716E-02 0.133E-02
DAV: 18 -0.904745848160E+02 -0.67976E-03 -0.13761E-04 628 0.651E-02 0.153E-02
DAV: 19 -0.904746654337E+02 -0.80618E-04 -0.12749E-05 520 0.260E-02 0.117E-02
DAV: 20 -0.904747525496E+02 -0.87116E-04 -0.28884E-05 481 0.335E-02 0.803E-03
DAV: 21 -0.904748068075E+02 -0.54258E-04 -0.73251E-06 450 0.148E-02 0.611E-03
DAV: 22 -0.904748332062E+02 -0.26399E-04 -0.74016E-06 441 0.169E-02 0.487E-03
DAV: 23 -0.904748419950E+02 -0.87888E-05 -0.43534E-06 437 0.158E-02
1 F= -.90474842E+02 E0= -.90479506E+02 d E =0.139931E-01