iterations/neb0_image05_iter224_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 0.366253690467E+03 0.36625E+03 -0.14287E+04 624 0.799E+02
DAV: 2 0.264800991357E+01 -0.36361E+03 -0.35026E+03 864 0.195E+02
DAV: 3 -0.954423302938E+02 -0.98090E+02 -0.97748E+02 677 0.116E+02
DAV: 4 -0.998611677797E+02 -0.44188E+01 -0.44088E+01 720 0.278E+01
DAV: 5 -0.999493241470E+02 -0.88156E-01 -0.88115E-01 728 0.350E+00 0.220E+01
DAV: 6 -0.914890341849E+02 0.84603E+01 -0.30645E+01 696 0.297E+01 0.116E+01
DAV: 7 -0.906815279597E+02 0.80751E+00 -0.17146E+00 720 0.631E+00 0.482E+00
DAV: 8 -0.903052421357E+02 0.37629E+00 -0.55125E-01 712 0.431E+00 0.165E+00
DAV: 9 -0.902219440859E+02 0.83298E-01 -0.13122E-01 712 0.172E+00 0.432E-01
DAV: 10 -0.902144559603E+02 0.74881E-02 -0.40548E-02 728 0.115E+00 0.316E-01
DAV: 11 -0.902171946322E+02 -0.27387E-02 -0.78893E-03 608 0.714E-01 0.136E-01
DAV: 12 -0.902189177487E+02 -0.17231E-02 -0.44950E-03 648 0.380E-01 0.110E-01
DAV: 13 -0.902221281635E+02 -0.32104E-02 -0.16020E-03 706 0.251E-01 0.816E-02
DAV: 14 -0.902253379759E+02 -0.32098E-02 -0.59219E-04 655 0.127E-01 0.493E-02
DAV: 15 -0.902281365065E+02 -0.27985E-02 -0.63587E-04 669 0.122E-01 0.292E-02
DAV: 16 -0.902297399056E+02 -0.16034E-02 -0.22719E-04 680 0.760E-02 0.185E-02
DAV: 17 -0.902304794200E+02 -0.73951E-03 -0.61893E-05 616 0.490E-02 0.112E-02
DAV: 18 -0.902308913964E+02 -0.41198E-03 -0.79259E-05 669 0.487E-02 0.144E-02
DAV: 19 -0.902310508037E+02 -0.15941E-03 -0.28783E-05 568 0.391E-02 0.763E-03
DAV: 20 -0.902310971302E+02 -0.46327E-04 -0.17898E-05 488 0.294E-02 0.591E-03
DAV: 21 -0.902311628228E+02 -0.65693E-04 -0.12095E-05 412 0.183E-02 0.379E-03
DAV: 22 -0.902311777826E+02 -0.14960E-04 -0.53719E-06 488 0.137E-02 0.252E-03
DAV: 23 -0.902311825259E+02 -0.47434E-05 -0.14154E-06 442 0.745E-03
1 F= -.90231183E+02 E0= -.90239976E+02 d E =0.263804E-01