./iterations/neb0_image03_iter162_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 0.364720197265E+03 0.36472E+03 -0.14323E+04 632 0.799E+02
DAV: 2 0.245536851049E+00 -0.36447E+03 -0.35413E+03 869 0.195E+02
DAV: 3 -0.961576581960E+02 -0.96403E+02 -0.96104E+02 677 0.115E+02
DAV: 4 -0.100243273924E+03 -0.40856E+01 -0.40756E+01 704 0.270E+01
DAV: 5 -0.100323274591E+03 -0.80001E-01 -0.79965E-01 736 0.340E+00 0.222E+01
DAV: 6 -0.917004247983E+02 0.86228E+01 -0.30928E+01 680 0.298E+01 0.117E+01
DAV: 7 -0.908633901323E+02 0.83703E+00 -0.18265E+00 704 0.633E+00 0.483E+00
DAV: 8 -0.904669228528E+02 0.39647E+00 -0.54686E-01 704 0.425E+00 0.168E+00
DAV: 9 -0.903706640811E+02 0.96259E-01 -0.13751E-01 712 0.174E+00 0.433E-01
DAV: 10 -0.903626484467E+02 0.80156E-02 -0.45139E-02 712 0.111E+00 0.330E-01
DAV: 11 -0.903679873411E+02 -0.53389E-02 -0.12063E-02 610 0.714E-01 0.163E-01
DAV: 12 -0.903694930603E+02 -0.15057E-02 -0.32707E-03 648 0.300E-01 0.139E-01
DAV: 13 -0.903726703254E+02 -0.31773E-02 -0.29152E-03 624 0.337E-01 0.700E-02
DAV: 14 -0.903770394032E+02 -0.43691E-02 -0.12012E-03 661 0.174E-01 0.605E-02
DAV: 15 -0.903789255173E+02 -0.18861E-02 -0.28661E-04 792 0.124E-01 0.319E-02
DAV: 16 -0.903808148231E+02 -0.18893E-02 -0.52684E-04 677 0.133E-01 0.322E-02
DAV: 17 -0.903814799875E+02 -0.66516E-03 -0.13243E-04 840 0.946E-02 0.138E-02
DAV: 18 -0.903819196316E+02 -0.43964E-03 -0.72049E-05 650 0.407E-02 0.987E-03
DAV: 19 -0.903821912643E+02 -0.27163E-03 -0.33978E-05 591 0.274E-02 0.438E-03
DAV: 20 -0.903822978998E+02 -0.10664E-03 -0.82984E-06 472 0.131E-02 0.247E-03
DAV: 21 -0.903823619446E+02 -0.64045E-04 -0.10055E-05 477 0.111E-02 0.159E-03
DAV: 22 -0.903823729054E+02 -0.10961E-04 -0.18036E-06 496 0.559E-03 0.122E-03
DAV: 23 -0.903823759919E+02 -0.30865E-05 -0.83484E-07 448 0.518E-03
1 F= -.90382376E+02 E0= -.90391212E+02 d E =0.265069E-01