iterations/neb0_image06_iter47_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 0.376675416661E+03 0.37668E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.484552981927E+01 -0.37183E+03 -0.35863E+03 861 0.195E+02
DAV: 3 -0.955680168030E+02 -0.10041E+03 -0.10008E+03 656 0.117E+02
DAV: 4 -0.100091240428E+03 -0.45232E+01 -0.45122E+01 712 0.291E+01
DAV: 5 -0.100181765969E+03 -0.90526E-01 -0.90495E-01 728 0.369E+00 0.228E+01
DAV: 6 -0.914788930918E+02 0.87029E+01 -0.30611E+01 674 0.306E+01 0.119E+01
DAV: 7 -0.906063774060E+02 0.87252E+00 -0.17253E+00 720 0.635E+00 0.481E+00
DAV: 8 -0.902216436862E+02 0.38473E+00 -0.51496E-01 696 0.399E+00 0.168E+00
DAV: 9 -0.901310652325E+02 0.90578E-01 -0.13934E-01 720 0.180E+00 0.465E-01
DAV: 10 -0.901214138133E+02 0.96514E-02 -0.21512E-02 776 0.970E-01 0.281E-01
DAV: 11 -0.901225978325E+02 -0.11840E-02 -0.11802E-02 632 0.557E-01 0.185E-01
DAV: 12 -0.901251616835E+02 -0.25639E-02 -0.27305E-03 673 0.398E-01 0.106E-01
DAV: 13 -0.901289033829E+02 -0.37417E-02 -0.23195E-03 624 0.291E-01 0.107E-01
DAV: 14 -0.901324711321E+02 -0.35677E-02 -0.99831E-04 661 0.174E-01 0.467E-02
DAV: 15 -0.901350246668E+02 -0.25535E-02 -0.72064E-04 688 0.147E-01 0.437E-02
DAV: 16 -0.901371805174E+02 -0.21559E-02 -0.32350E-04 664 0.947E-02 0.220E-02
DAV: 17 -0.901383377995E+02 -0.11573E-02 -0.16141E-04 698 0.662E-02 0.153E-02
DAV: 18 -0.901386885864E+02 -0.35079E-03 -0.38032E-05 624 0.344E-02 0.132E-02
DAV: 19 -0.901388965389E+02 -0.20795E-03 -0.44905E-05 636 0.362E-02 0.663E-03
DAV: 20 -0.901389707732E+02 -0.74234E-04 -0.91527E-06 493 0.208E-02 0.364E-03
DAV: 21 -0.901390055335E+02 -0.34760E-04 -0.63634E-06 434 0.122E-02 0.264E-03
DAV: 22 -0.901390144337E+02 -0.89002E-05 -0.11607E-06 512 0.576E-03
1 F= -.90139014E+02 E0= -.90148643E+02 d E =0.288861E-01