iterations/neb0_image07_iter134_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 0.376116153814E+03 0.37612E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.349915868592E+01 -0.37262E+03 -0.35998E+03 877 0.196E+02
DAV: 3 -0.966357905350E+02 -0.10013E+03 -0.99815E+02 677 0.117E+02
DAV: 4 -0.101052818638E+03 -0.44170E+01 -0.44044E+01 720 0.278E+01
DAV: 5 -0.101139893544E+03 -0.87075E-01 -0.87041E-01 728 0.352E+00 0.227E+01
DAV: 6 -0.925382256101E+02 0.86017E+01 -0.30749E+01 720 0.302E+01 0.119E+01
DAV: 7 -0.916799281302E+02 0.85830E+00 -0.16737E+00 728 0.613E+00 0.481E+00
DAV: 8 -0.913020920640E+02 0.37784E+00 -0.55296E-01 712 0.400E+00 0.163E+00
DAV: 9 -0.912194168130E+02 0.82675E-01 -0.12996E-01 712 0.155E+00 0.425E-01
DAV: 10 -0.912101721423E+02 0.92447E-02 -0.45502E-02 749 0.109E+00 0.303E-01
DAV: 11 -0.912150442563E+02 -0.48721E-02 -0.13109E-02 608 0.599E-01 0.151E-01
DAV: 12 -0.912178612973E+02 -0.28170E-02 -0.28517E-03 638 0.245E-01 0.131E-01
DAV: 13 -0.912215988730E+02 -0.37376E-02 -0.21093E-03 672 0.270E-01 0.486E-02
DAV: 14 -0.912241874596E+02 -0.25886E-02 -0.50162E-04 661 0.109E-01 0.434E-02
DAV: 15 -0.912266940876E+02 -0.25066E-02 -0.24401E-04 648 0.735E-02 0.354E-02
DAV: 16 -0.912276541656E+02 -0.96008E-03 -0.30858E-04 688 0.854E-02 0.210E-02
DAV: 17 -0.912282006791E+02 -0.54651E-03 -0.88193E-05 640 0.561E-02 0.106E-02
DAV: 18 -0.912283618710E+02 -0.16119E-03 -0.22974E-05 496 0.247E-02 0.861E-03
DAV: 19 -0.912284085220E+02 -0.46651E-04 -0.10147E-05 480 0.231E-02 0.413E-03
DAV: 20 -0.912284272667E+02 -0.18745E-04 -0.68510E-06 477 0.157E-02 0.414E-03
DAV: 21 -0.912284672944E+02 -0.40028E-04 -0.50192E-06 404 0.105E-02 0.224E-03
DAV: 22 -0.912284766656E+02 -0.93712E-05 -0.20004E-06 464 0.650E-03
1 F= -.91228477E+02 E0= -.91233954E+02 d E =0.164321E-01