iterations/neb0_image04_iter276_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 0.367007035114E+03 0.36701E+03 -0.14313E+04 624 0.799E+02
DAV: 2 0.108276987795E+01 -0.36592E+03 -0.35419E+03 855 0.195E+02
DAV: 3 -0.961427968288E+02 -0.97226E+02 -0.96935E+02 664 0.116E+02
DAV: 4 -0.100424127178E+03 -0.42813E+01 -0.42720E+01 696 0.278E+01
DAV: 5 -0.100507406473E+03 -0.83279E-01 -0.83249E-01 728 0.347E+00 0.225E+01
DAV: 6 -0.917022818425E+02 0.88051E+01 -0.31549E+01 677 0.301E+01 0.118E+01
DAV: 7 -0.908342737652E+02 0.86801E+00 -0.18412E+00 720 0.659E+00 0.487E+00
DAV: 8 -0.904242193394E+02 0.41005E+00 -0.54753E-01 696 0.463E+00 0.183E+00
DAV: 9 -0.903342108444E+02 0.90008E-01 -0.15294E-01 728 0.232E+00 0.639E-01
DAV: 10 -0.903155181508E+02 0.18693E-01 -0.41746E-02 712 0.108E+00 0.372E-01
DAV: 11 -0.903175322647E+02 -0.20141E-02 -0.18031E-02 728 0.725E-01 0.310E-01
DAV: 12 -0.903195710877E+02 -0.20388E-02 -0.42134E-03 688 0.617E-01 0.171E-01
DAV: 13 -0.903228104518E+02 -0.32394E-02 -0.40683E-03 725 0.445E-01 0.119E-01
DAV: 14 -0.903254746520E+02 -0.26642E-02 -0.14381E-03 663 0.230E-01 0.669E-02
DAV: 15 -0.903291681043E+02 -0.36935E-02 -0.15477E-03 634 0.215E-01 0.675E-02
DAV: 16 -0.903308147577E+02 -0.16467E-02 -0.36073E-04 736 0.179E-01 0.397E-02
DAV: 17 -0.903325103895E+02 -0.16956E-02 -0.58643E-04 649 0.123E-01 0.444E-02
DAV: 18 -0.903329495511E+02 -0.43916E-03 -0.85476E-05 752 0.802E-02 0.207E-02
DAV: 19 -0.903333298011E+02 -0.38025E-03 -0.18197E-04 632 0.804E-02 0.142E-02
DAV: 20 -0.903334888719E+02 -0.15907E-03 -0.20030E-05 549 0.251E-02 0.159E-02
DAV: 21 -0.903335669676E+02 -0.78096E-04 -0.17185E-05 498 0.255E-02 0.107E-02
DAV: 22 -0.903335940444E+02 -0.27077E-04 -0.20121E-05 498 0.292E-02 0.415E-03
DAV: 23 -0.903336044109E+02 -0.10367E-04 -0.44442E-06 440 0.113E-02 0.389E-03
DAV: 24 -0.903336089331E+02 -0.45222E-05 -0.12347E-06 466 0.856E-03
1 F= -.90333609E+02 E0= -.90341659E+02 d E =0.241487E-01