./neb0_image01_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 0.363563852998E+03 0.36356E+03 -0.14334E+04 632 0.799E+02
DAV: 2 0.226654165202E+01 -0.36130E+03 -0.34945E+03 836 0.195E+02
DAV: 3 -0.958072855006E+02 -0.98074E+02 -0.97746E+02 666 0.115E+02
DAV: 4 -0.100254251478E+03 -0.44470E+01 -0.44345E+01 704 0.280E+01
DAV: 5 -0.100340125186E+03 -0.85874E-01 -0.85828E-01 728 0.351E+00 0.223E+01
DAV: 6 -0.917099292234E+02 0.86302E+01 -0.30891E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908917489391E+02 0.81818E+00 -0.18486E+00 720 0.637E+00 0.484E+00
DAV: 8 -0.905112073429E+02 0.38054E+00 -0.55808E-01 696 0.431E+00 0.168E+00
DAV: 9 -0.904256147799E+02 0.85593E-01 -0.13572E-01 712 0.164E+00 0.428E-01
DAV: 10 -0.904201853803E+02 0.54294E-02 -0.45757E-02 693 0.125E+00 0.318E-01
DAV: 11 -0.904238946206E+02 -0.37092E-02 -0.65133E-03 608 0.484E-01 0.145E-01
DAV: 12 -0.904273821615E+02 -0.34875E-02 -0.73794E-03 623 0.493E-01 0.132E-01
DAV: 13 -0.904301119441E+02 -0.27298E-02 -0.16669E-03 912 0.326E-01 0.764E-02
DAV: 14 -0.904331664678E+02 -0.30545E-02 -0.12492E-03 639 0.164E-01 0.569E-02
DAV: 15 -0.904352944694E+02 -0.21280E-02 -0.37123E-04 680 0.107E-01 0.434E-02
DAV: 16 -0.904368519144E+02 -0.15574E-02 -0.74422E-04 658 0.158E-01 0.340E-02
DAV: 17 -0.904375679123E+02 -0.71600E-03 -0.13524E-04 736 0.834E-02 0.217E-02
DAV: 18 -0.904378202104E+02 -0.25230E-03 -0.85714E-05 645 0.451E-02 0.796E-03
DAV: 19 -0.904379634803E+02 -0.14327E-03 -0.22017E-05 496 0.234E-02 0.495E-03
DAV: 20 -0.904380008880E+02 -0.37408E-04 -0.45651E-06 480 0.105E-02 0.584E-03
DAV: 21 -0.904380439678E+02 -0.43080E-04 -0.76737E-06 412 0.162E-02 0.268E-03
DAV: 22 -0.904380487639E+02 -0.47960E-05 -0.44533E-06 480 0.115E-02
1 F= -.90438049E+02 E0= -.90444077E+02 d E =0.180832E-01