./iterations/neb0_image07_iter77_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 0.378140777597E+03 0.37814E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.372020522613E+01 -0.37442E+03 -0.36221E+03 877 0.196E+02
DAV: 3 -0.964637067665E+02 -0.10018E+03 -0.99863E+02 672 0.117E+02
DAV: 4 -0.100899909972E+03 -0.44362E+01 -0.44255E+01 712 0.283E+01
DAV: 5 -0.100987246726E+03 -0.87337E-01 -0.87302E-01 728 0.357E+00 0.228E+01
DAV: 6 -0.923507726462E+02 0.86365E+01 -0.30689E+01 701 0.303E+01 0.119E+01
DAV: 7 -0.914746841462E+02 0.87609E+00 -0.16704E+00 736 0.614E+00 0.482E+00
DAV: 8 -0.910912406325E+02 0.38344E+00 -0.55797E-01 696 0.405E+00 0.163E+00
DAV: 9 -0.910066541959E+02 0.84586E-01 -0.13380E-01 712 0.156E+00 0.426E-01
DAV: 10 -0.909970584684E+02 0.95957E-02 -0.48725E-02 720 0.114E+00 0.312E-01
DAV: 11 -0.910015125567E+02 -0.44541E-02 -0.12346E-02 608 0.589E-01 0.136E-01
DAV: 12 -0.910047662221E+02 -0.32537E-02 -0.39227E-03 624 0.293E-01 0.153E-01
DAV: 13 -0.910083208928E+02 -0.35547E-02 -0.28459E-03 725 0.334E-01 0.553E-02
DAV: 14 -0.910108460736E+02 -0.25252E-02 -0.65448E-04 656 0.121E-01 0.598E-02
DAV: 15 -0.910135301075E+02 -0.26840E-02 -0.29983E-04 642 0.832E-02 0.383E-02
DAV: 16 -0.910148384832E+02 -0.13084E-02 -0.55726E-04 685 0.119E-01 0.339E-02
DAV: 17 -0.910153478504E+02 -0.50937E-03 -0.16940E-04 688 0.793E-02 0.101E-02
DAV: 18 -0.910155131817E+02 -0.16533E-03 -0.29118E-05 616 0.278E-02 0.628E-03
DAV: 19 -0.910155885497E+02 -0.75368E-04 -0.10258E-05 440 0.201E-02 0.231E-03
DAV: 20 -0.910156288934E+02 -0.40344E-04 -0.54335E-06 447 0.978E-03 0.262E-03
DAV: 21 -0.910156376580E+02 -0.87646E-05 -0.94205E-07 496 0.534E-03
1 F= -.91015638E+02 E0= -.91020924E+02 d E =0.158596E-01