iterations/neb0_image04_iter142_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 0.368763432055E+03 0.36876E+03 -0.14316E+04 632 0.799E+02
DAV: 2 0.371732927661E+01 -0.36505E+03 -0.35188E+03 858 0.195E+02
DAV: 3 -0.956506405334E+02 -0.99368E+02 -0.99051E+02 674 0.116E+02
DAV: 4 -0.100075233836E+03 -0.44246E+01 -0.44122E+01 720 0.280E+01
DAV: 5 -0.100160280011E+03 -0.85046E-01 -0.85008E-01 728 0.351E+00 0.223E+01
DAV: 6 -0.915278862882E+02 0.86324E+01 -0.30564E+01 688 0.296E+01 0.116E+01
DAV: 7 -0.906734961119E+02 0.85439E+00 -0.18046E+00 696 0.631E+00 0.482E+00
DAV: 8 -0.902705657851E+02 0.40293E+00 -0.56392E-01 704 0.428E+00 0.163E+00
DAV: 9 -0.901763642917E+02 0.94201E-01 -0.13243E-01 712 0.167E+00 0.437E-01
DAV: 10 -0.901672535376E+02 0.91108E-02 -0.46797E-02 704 0.112E+00 0.335E-01
DAV: 11 -0.901723886723E+02 -0.51351E-02 -0.10419E-02 616 0.671E-01 0.150E-01
DAV: 12 -0.901739131733E+02 -0.15245E-02 -0.29269E-03 656 0.308E-01 0.117E-01
DAV: 13 -0.901769752857E+02 -0.30621E-02 -0.15046E-03 615 0.208E-01 0.711E-02
DAV: 14 -0.901814773451E+02 -0.45021E-02 -0.10913E-03 658 0.146E-01 0.413E-02
DAV: 15 -0.901836763883E+02 -0.21990E-02 -0.19873E-04 680 0.805E-02 0.294E-02
DAV: 16 -0.901857367949E+02 -0.20604E-02 -0.45333E-04 657 0.116E-01 0.283E-02
DAV: 17 -0.901861485389E+02 -0.41174E-03 -0.66296E-05 768 0.704E-02 0.138E-02
DAV: 18 -0.901866493919E+02 -0.50085E-03 -0.99133E-05 644 0.486E-02 0.107E-02
DAV: 19 -0.901868054827E+02 -0.15609E-03 -0.15430E-05 479 0.326E-02 0.421E-03
DAV: 20 -0.901869347406E+02 -0.12926E-03 -0.32232E-05 556 0.253E-02 0.641E-03
DAV: 21 -0.901869605976E+02 -0.25857E-04 -0.41620E-06 504 0.197E-02 0.185E-03
DAV: 22 -0.901869764397E+02 -0.15842E-04 -0.56377E-06 415 0.120E-02 0.261E-03
DAV: 23 -0.901869851008E+02 -0.86611E-05 -0.13265E-06 458 0.471E-03
1 F= -.90186985E+02 E0= -.90196129E+02 d E =0.274314E-01