./iterations/neb0_image02_iter257_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 0.366437852676E+03 0.36644E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.266961490174E+00 -0.36617E+03 -0.35549E+03 877 0.196E+02
DAV: 3 -0.956588013166E+02 -0.95926E+02 -0.95596E+02 621 0.115E+02
DAV: 4 -0.100270073634E+03 -0.46113E+01 -0.46011E+01 712 0.297E+01
DAV: 5 -0.100361926832E+03 -0.91853E-01 -0.91821E-01 736 0.376E+00 0.223E+01
DAV: 6 -0.916819820958E+02 0.86799E+01 -0.30920E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908539705747E+02 0.82801E+00 -0.18213E+00 720 0.636E+00 0.485E+00
DAV: 8 -0.904731308066E+02 0.38084E+00 -0.55765E-01 704 0.432E+00 0.169E+00
DAV: 9 -0.903891000894E+02 0.84031E-01 -0.13378E-01 720 0.166E+00 0.427E-01
DAV: 10 -0.903847660948E+02 0.43340E-02 -0.48280E-02 712 0.123E+00 0.329E-01
DAV: 11 -0.903887120998E+02 -0.39460E-02 -0.80253E-03 624 0.624E-01 0.114E-01
DAV: 12 -0.903915869681E+02 -0.28749E-02 -0.60030E-03 632 0.386E-01 0.131E-01
DAV: 13 -0.903942987303E+02 -0.27118E-02 -0.17618E-03 869 0.317E-01 0.819E-02
DAV: 14 -0.903973600080E+02 -0.30613E-02 -0.12402E-03 612 0.163E-01 0.681E-02
DAV: 15 -0.903992239876E+02 -0.18640E-02 -0.31625E-04 680 0.106E-01 0.479E-02
DAV: 16 -0.904005996246E+02 -0.13756E-02 -0.86976E-04 680 0.170E-01 0.378E-02
DAV: 17 -0.904011842653E+02 -0.58464E-03 -0.15883E-04 864 0.884E-02 0.201E-02
DAV: 18 -0.904013651051E+02 -0.18084E-03 -0.42096E-05 701 0.337E-02 0.841E-03
DAV: 19 -0.904016298835E+02 -0.26478E-03 -0.35954E-05 566 0.259E-02 0.370E-03
DAV: 20 -0.904016623601E+02 -0.32477E-04 -0.25954E-06 520 0.106E-02 0.354E-03
DAV: 21 -0.904017156134E+02 -0.53253E-04 -0.90080E-06 398 0.153E-02 0.306E-03
DAV: 22 -0.904017239570E+02 -0.83436E-05 -0.20232E-06 488 0.792E-03
1 F= -.90401724E+02 E0= -.90408796E+02 d E =0.212155E-01