iterations/neb0_image06_iter174_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 0.370662098475E+03 0.37066E+03 -0.14345E+04 640 0.799E+02
DAV: 2 0.330499351987E+01 -0.36736E+03 -0.35550E+03 877 0.193E+02
DAV: 3 -0.959800843001E+02 -0.99285E+02 -0.98943E+02 685 0.116E+02
DAV: 4 -0.100515058518E+03 -0.45350E+01 -0.45228E+01 712 0.280E+01
DAV: 5 -0.100604732111E+03 -0.89674E-01 -0.89631E-01 720 0.353E+00 0.225E+01
DAV: 6 -0.920633450173E+02 0.85414E+01 -0.30595E+01 709 0.302E+01 0.118E+01
DAV: 7 -0.912352002281E+02 0.82814E+00 -0.17154E+00 720 0.626E+00 0.480E+00
DAV: 8 -0.908581528320E+02 0.37705E+00 -0.55289E-01 712 0.413E+00 0.165E+00
DAV: 9 -0.907702632886E+02 0.87890E-01 -0.12680E-01 712 0.157E+00 0.421E-01
DAV: 10 -0.907600001606E+02 0.10263E-01 -0.37133E-02 736 0.955E-01 0.285E-01
DAV: 11 -0.907641458506E+02 -0.41457E-02 -0.94001E-03 602 0.495E-01 0.145E-01
DAV: 12 -0.907668071797E+02 -0.26613E-02 -0.19760E-03 642 0.251E-01 0.854E-02
DAV: 13 -0.907707826631E+02 -0.39755E-02 -0.16442E-03 639 0.187E-01 0.619E-02
DAV: 14 -0.907743070000E+02 -0.35243E-02 -0.12270E-03 792 0.257E-01 0.483E-02
DAV: 15 -0.907759468028E+02 -0.16398E-02 -0.35356E-04 706 0.108E-01 0.447E-02
DAV: 16 -0.907769800239E+02 -0.10332E-02 -0.32118E-04 728 0.112E-01 0.174E-02
DAV: 17 -0.907779229504E+02 -0.94293E-03 -0.15160E-04 653 0.606E-02 0.159E-02
DAV: 18 -0.907782149269E+02 -0.29198E-03 -0.19703E-05 552 0.196E-02 0.118E-02
DAV: 19 -0.907783822176E+02 -0.16729E-03 -0.35891E-05 615 0.312E-02 0.293E-03
DAV: 20 -0.907783954126E+02 -0.13195E-04 -0.32821E-06 536 0.108E-02 0.194E-03
DAV: 21 -0.907784297333E+02 -0.34321E-04 -0.42989E-06 395 0.941E-03 0.153E-03
DAV: 22 -0.907784331164E+02 -0.33830E-05 -0.65910E-07 504 0.481E-03
1 F= -.90778433E+02 E0= -.90783166E+02 d E =0.141991E-01