iterations/neb0_image07_iter192_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 0.371586464040E+03 0.37159E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.341907877401E+01 -0.36817E+03 -0.35563E+03 869 0.194E+02
DAV: 3 -0.964850253942E+02 -0.99904E+02 -0.99583E+02 680 0.116E+02
DAV: 4 -0.101103653962E+03 -0.46186E+01 -0.46063E+01 712 0.283E+01
DAV: 5 -0.101197350031E+03 -0.93696E-01 -0.93639E-01 728 0.360E+00 0.227E+01
DAV: 6 -0.925790002675E+02 0.86183E+01 -0.30602E+01 725 0.299E+01 0.119E+01
DAV: 7 -0.917248266637E+02 0.85417E+00 -0.17425E+00 712 0.618E+00 0.479E+00
DAV: 8 -0.913529190928E+02 0.37191E+00 -0.53022E-01 728 0.395E+00 0.163E+00
DAV: 9 -0.912710158582E+02 0.81903E-01 -0.13104E-01 728 0.157E+00 0.419E-01
DAV: 10 -0.912624048858E+02 0.86110E-02 -0.41654E-02 717 0.107E+00 0.293E-01
DAV: 11 -0.912667708944E+02 -0.43660E-02 -0.12172E-02 616 0.579E-01 0.145E-01
DAV: 12 -0.912695523785E+02 -0.27815E-02 -0.23831E-03 634 0.251E-01 0.934E-02
DAV: 13 -0.912735695614E+02 -0.40172E-02 -0.17473E-03 634 0.214E-01 0.521E-02
DAV: 14 -0.912759901163E+02 -0.24206E-02 -0.49318E-04 800 0.176E-01 0.329E-02
DAV: 15 -0.912782272977E+02 -0.22372E-02 -0.40243E-04 647 0.985E-02 0.314E-02
DAV: 16 -0.912791857580E+02 -0.95846E-03 -0.12525E-04 728 0.709E-02 0.124E-02
DAV: 17 -0.912800163509E+02 -0.83059E-03 -0.13120E-04 725 0.586E-02 0.159E-02
DAV: 18 -0.912802119039E+02 -0.19555E-03 -0.28532E-05 624 0.402E-02 0.795E-03
DAV: 19 -0.912802839612E+02 -0.72057E-04 -0.19005E-05 528 0.252E-02 0.639E-03
DAV: 20 -0.912803564417E+02 -0.72480E-04 -0.83082E-06 425 0.153E-02 0.332E-03
DAV: 21 -0.912803793731E+02 -0.22931E-04 -0.41470E-06 488 0.123E-02 0.153E-03
DAV: 22 -0.912803933736E+02 -0.14001E-04 -0.18341E-06 414 0.657E-03 0.810E-04
DAV: 23 -0.912803967689E+02 -0.33953E-05 -0.79389E-07 480 0.384E-03
1 F= -.91280397E+02 E0= -.91285973E+02 d E =0.167275E-01