iterations/neb0_image03_iter205_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 0.363357186773E+03 0.36336E+03 -0.14321E+04 632 0.799E+02
DAV: 2 -0.173515136641E+00 -0.36353E+03 -0.35369E+03 855 0.195E+02
DAV: 3 -0.959836914010E+02 -0.95810E+02 -0.95498E+02 661 0.115E+02
DAV: 4 -0.100244524022E+03 -0.42608E+01 -0.42492E+01 712 0.277E+01
DAV: 5 -0.100329001195E+03 -0.84477E-01 -0.84443E-01 736 0.351E+00 0.222E+01
DAV: 6 -0.917234806768E+02 0.86055E+01 -0.30954E+01 688 0.298E+01 0.117E+01
DAV: 7 -0.908840345808E+02 0.83945E+00 -0.18078E+00 704 0.637E+00 0.484E+00
DAV: 8 -0.904891623252E+02 0.39487E+00 -0.56770E-01 696 0.432E+00 0.169E+00
DAV: 9 -0.903943430999E+02 0.94819E-01 -0.13087E-01 712 0.172E+00 0.438E-01
DAV: 10 -0.903866596162E+02 0.76835E-02 -0.49593E-02 720 0.122E+00 0.342E-01
DAV: 11 -0.903909874449E+02 -0.43278E-02 -0.10043E-02 624 0.667E-01 0.124E-01
DAV: 12 -0.903937079020E+02 -0.27205E-02 -0.48465E-03 624 0.325E-01 0.121E-01
DAV: 13 -0.903978009668E+02 -0.40931E-02 -0.21909E-03 853 0.358E-01 0.841E-02
DAV: 14 -0.904009999510E+02 -0.31990E-02 -0.11558E-03 669 0.168E-01 0.609E-02
DAV: 15 -0.904030333787E+02 -0.20334E-02 -0.33621E-04 656 0.103E-01 0.255E-02
DAV: 16 -0.904048909744E+02 -0.18576E-02 -0.33362E-04 661 0.926E-02 0.250E-02
DAV: 17 -0.904054895038E+02 -0.59853E-03 -0.65829E-05 752 0.615E-02 0.124E-02
DAV: 18 -0.904060277021E+02 -0.53820E-03 -0.14661E-04 636 0.677E-02 0.172E-02
DAV: 19 -0.904060873945E+02 -0.59692E-04 -0.14571E-05 504 0.353E-02 0.879E-03
DAV: 20 -0.904061793777E+02 -0.91983E-04 -0.60851E-05 618 0.427E-02 0.972E-03
DAV: 21 -0.904062171757E+02 -0.37798E-04 -0.63717E-06 480 0.216E-02 0.479E-03
DAV: 22 -0.904062384479E+02 -0.21272E-04 -0.88684E-06 437 0.162E-02 0.926E-04
DAV: 23 -0.904062438311E+02 -0.53833E-05 -0.23538E-06 504 0.835E-03
1 F= -.90406244E+02 E0= -.90412923E+02 d E =0.200378E-01