./iterations/neb0_image09_iter67_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 0.374876265750E+03 0.37488E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.257318184149E+01 -0.37230E+03 -0.35993E+03 877 0.196E+02
DAV: 3 -0.966993360035E+02 -0.99273E+02 -0.98935E+02 656 0.117E+02
DAV: 4 -0.101237017589E+03 -0.45377E+01 -0.45285E+01 696 0.289E+01
DAV: 5 -0.101326857992E+03 -0.89840E-01 -0.89802E-01 736 0.368E+00 0.227E+01
DAV: 6 -0.926671699222E+02 0.86597E+01 -0.30858E+01 709 0.301E+01 0.119E+01
DAV: 7 -0.918005274951E+02 0.86664E+00 -0.17246E+00 728 0.616E+00 0.480E+00
DAV: 8 -0.914233314165E+02 0.37720E+00 -0.54427E-01 712 0.397E+00 0.163E+00
DAV: 9 -0.913404018366E+02 0.82930E-01 -0.13109E-01 704 0.155E+00 0.423E-01
DAV: 10 -0.913314055728E+02 0.89963E-02 -0.46186E-02 752 0.112E+00 0.305E-01
DAV: 11 -0.913360496825E+02 -0.46441E-02 -0.13896E-02 608 0.611E-01 0.153E-01
DAV: 12 -0.913389429118E+02 -0.28932E-02 -0.30546E-03 636 0.244E-01 0.115E-01
DAV: 13 -0.913427619953E+02 -0.38191E-02 -0.17396E-03 720 0.228E-01 0.439E-02
DAV: 14 -0.913461570544E+02 -0.33951E-02 -0.56603E-04 669 0.132E-01 0.316E-02
DAV: 15 -0.913476717840E+02 -0.15147E-02 -0.14439E-04 680 0.687E-02 0.335E-02
DAV: 16 -0.913489858352E+02 -0.13141E-02 -0.35235E-04 644 0.959E-02 0.204E-02
DAV: 17 -0.913492312767E+02 -0.24544E-03 -0.42863E-05 656 0.479E-02 0.127E-02
DAV: 18 -0.913494791148E+02 -0.24784E-03 -0.55536E-05 620 0.373E-02 0.118E-02
DAV: 19 -0.913495633714E+02 -0.84257E-04 -0.91971E-06 480 0.211E-02 0.564E-03
DAV: 20 -0.913495982341E+02 -0.34863E-04 -0.15287E-05 448 0.225E-02 0.310E-03
DAV: 21 -0.913496191155E+02 -0.20881E-04 -0.30409E-06 450 0.947E-03 0.229E-03
DAV: 22 -0.913496250347E+02 -0.59193E-05 -0.17041E-06 442 0.765E-03
1 F= -.91349625E+02 E0= -.91354348E+02 d E =0.141691E-01