./iterations/neb0_image01_iter179_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 0.365348353236E+03 0.36535E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.315000771438E+01 -0.36220E+03 -0.34925E+03 842 0.196E+02
DAV: 3 -0.955731504281E+02 -0.98723E+02 -0.98374E+02 669 0.116E+02
DAV: 4 -0.100201647869E+03 -0.46285E+01 -0.46175E+01 688 0.287E+01
DAV: 5 -0.100294808648E+03 -0.93161E-01 -0.93112E-01 720 0.362E+00 0.222E+01
DAV: 6 -0.916764612924E+02 0.86183E+01 -0.31043E+01 688 0.299E+01 0.116E+01
DAV: 7 -0.908811905402E+02 0.79527E+00 -0.18308E+00 712 0.639E+00 0.484E+00
DAV: 8 -0.905075195624E+02 0.37367E+00 -0.54915E-01 704 0.428E+00 0.167E+00
DAV: 9 -0.904251145956E+02 0.82405E-01 -0.13253E-01 720 0.168E+00 0.423E-01
DAV: 10 -0.904205149978E+02 0.45996E-02 -0.47025E-02 720 0.124E+00 0.322E-01
DAV: 11 -0.904246564966E+02 -0.41415E-02 -0.81558E-03 608 0.585E-01 0.119E-01
DAV: 12 -0.904279098141E+02 -0.32533E-02 -0.62799E-03 629 0.436E-01 0.129E-01
DAV: 13 -0.904303856435E+02 -0.24758E-02 -0.15572E-03 861 0.304E-01 0.755E-02
DAV: 14 -0.904336307698E+02 -0.32451E-02 -0.15252E-03 639 0.200E-01 0.705E-02
DAV: 15 -0.904351296471E+02 -0.14989E-02 -0.29170E-04 720 0.116E-01 0.552E-02
DAV: 16 -0.904364873560E+02 -0.13577E-02 -0.11577E-03 661 0.210E-01 0.406E-02
DAV: 17 -0.904373154941E+02 -0.82814E-03 -0.15553E-04 664 0.849E-02 0.349E-02
DAV: 18 -0.904376084349E+02 -0.29294E-03 -0.63400E-05 688 0.394E-02 0.225E-02
DAV: 19 -0.904378316871E+02 -0.22325E-03 -0.12478E-04 625 0.662E-02 0.957E-03
DAV: 20 -0.904378588326E+02 -0.27146E-04 -0.16273E-05 512 0.260E-02 0.106E-02
DAV: 21 -0.904378937616E+02 -0.34929E-04 -0.91097E-06 418 0.186E-02 0.861E-03
DAV: 22 -0.904379132964E+02 -0.19535E-04 -0.57566E-06 468 0.210E-02 0.450E-03
DAV: 23 -0.904379175415E+02 -0.42450E-05 -0.12353E-05 504 0.192E-02
1 F= -.90437918E+02 E0= -.90443536E+02 d E =0.168569E-01