./iterations/neb0_image01_iter5_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 0.366402399697E+03 0.36640E+03 -0.14304E+04 624 0.799E+02
DAV: 2 0.249910745679E+01 -0.36390E+03 -0.35214E+03 850 0.196E+02
DAV: 3 -0.956963427530E+02 -0.98195E+02 -0.97874E+02 664 0.116E+02
DAV: 4 -0.100154241991E+03 -0.44579E+01 -0.44464E+01 704 0.284E+01
DAV: 5 -0.100241811975E+03 -0.87570E-01 -0.87523E-01 736 0.355E+00 0.223E+01
DAV: 6 -0.914468038707E+02 0.87950E+01 -0.31457E+01 685 0.301E+01 0.117E+01
DAV: 7 -0.906290074719E+02 0.81780E+00 -0.18425E+00 712 0.631E+00 0.483E+00
DAV: 8 -0.902493001934E+02 0.37971E+00 -0.54798E-01 720 0.423E+00 0.172E+00
DAV: 9 -0.901613673092E+02 0.87933E-01 -0.14178E-01 728 0.168E+00 0.431E-01
DAV: 10 -0.901559277498E+02 0.54396E-02 -0.45041E-02 728 0.121E+00 0.315E-01
DAV: 11 -0.901599582501E+02 -0.40305E-02 -0.68046E-03 608 0.530E-01 0.124E-01
DAV: 12 -0.901635184481E+02 -0.35602E-02 -0.66282E-03 624 0.421E-01 0.134E-01
DAV: 13 -0.901660983982E+02 -0.25800E-02 -0.21337E-03 848 0.361E-01 0.745E-02
DAV: 14 -0.901690507638E+02 -0.29524E-02 -0.11773E-03 628 0.158E-01 0.616E-02
DAV: 15 -0.901708691566E+02 -0.18184E-02 -0.22744E-04 680 0.876E-02 0.387E-02
DAV: 16 -0.901724674834E+02 -0.15983E-02 -0.67059E-04 652 0.150E-01 0.348E-02
DAV: 17 -0.901730196579E+02 -0.55217E-03 -0.94276E-05 765 0.733E-02 0.200E-02
DAV: 18 -0.901734317835E+02 -0.41213E-03 -0.12350E-04 634 0.574E-02 0.825E-03
DAV: 19 -0.901735277928E+02 -0.96009E-04 -0.74243E-06 488 0.155E-02 0.714E-03
DAV: 20 -0.901735942769E+02 -0.66484E-04 -0.12326E-05 437 0.232E-02 0.341E-03
DAV: 21 -0.901736349202E+02 -0.40643E-04 -0.13093E-05 461 0.197E-02 0.522E-03
DAV: 22 -0.901736413278E+02 -0.64076E-05 -0.20295E-06 512 0.108E-02
1 F= -.90173641E+02 E0= -.90178833E+02 d E =0.155743E-01