./iterations/neb0_image04_iter175_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 0.363510446892E+03 0.36351E+03 -0.14356E+04 640 0.799E+02
DAV: 2 0.102059114160E+01 -0.36249E+03 -0.34961E+03 863 0.193E+02
DAV: 3 -0.960785121537E+02 -0.97099E+02 -0.96800E+02 674 0.115E+02
DAV: 4 -0.100245904089E+03 -0.41674E+01 -0.41574E+01 704 0.272E+01
DAV: 5 -0.100324524580E+03 -0.78620E-01 -0.78586E-01 736 0.340E+00 0.223E+01
DAV: 6 -0.916226281051E+02 0.87019E+01 -0.31019E+01 695 0.297E+01 0.116E+01
DAV: 7 -0.907571764459E+02 0.86545E+00 -0.17686E+00 704 0.629E+00 0.483E+00
DAV: 8 -0.903476400587E+02 0.40954E+00 -0.57108E-01 704 0.432E+00 0.165E+00
DAV: 9 -0.902545605228E+02 0.93080E-01 -0.12527E-01 720 0.193E+00 0.480E-01
DAV: 10 -0.902448209016E+02 0.97396E-02 -0.33829E-02 720 0.938E-01 0.343E-01
DAV: 11 -0.902471382882E+02 -0.23174E-02 -0.10712E-02 664 0.730E-01 0.239E-01
DAV: 12 -0.902486371376E+02 -0.14988E-02 -0.37237E-03 757 0.569E-01 0.116E-01
DAV: 13 -0.902530281809E+02 -0.43910E-02 -0.30199E-03 620 0.305E-01 0.964E-02
DAV: 14 -0.902564592389E+02 -0.34311E-02 -0.79989E-04 640 0.158E-01 0.420E-02
DAV: 15 -0.902596293930E+02 -0.31702E-02 -0.69269E-04 666 0.128E-01 0.334E-02
DAV: 16 -0.902614831444E+02 -0.18538E-02 -0.22467E-04 720 0.112E-01 0.188E-02
DAV: 17 -0.902627419636E+02 -0.12588E-02 -0.19319E-04 652 0.625E-02 0.216E-02
DAV: 18 -0.902631156095E+02 -0.37365E-03 -0.11188E-04 784 0.784E-02 0.122E-02
DAV: 19 -0.902633190212E+02 -0.20341E-03 -0.39108E-05 641 0.308E-02 0.136E-02
DAV: 20 -0.902633654428E+02 -0.46422E-04 -0.51463E-06 528 0.144E-02 0.932E-03
DAV: 21 -0.902634527149E+02 -0.87272E-04 -0.35436E-05 545 0.356E-02 0.549E-03
DAV: 22 -0.902634634166E+02 -0.10702E-04 -0.41325E-06 496 0.156E-02 0.352E-03
DAV: 23 -0.902634670595E+02 -0.36429E-05 -0.30710E-06 496 0.902E-03
1 F= -.90263467E+02 E0= -.90272040E+02 d E =0.257178E-01