iterations/neb0_image03_iter160_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 0.364560730508E+03 0.36456E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.278232232926E+00 -0.36428E+03 -0.35402E+03 869 0.195E+02
DAV: 3 -0.961334418066E+02 -0.96412E+02 -0.96107E+02 677 0.115E+02
DAV: 4 -0.100226981670E+03 -0.40935E+01 -0.40835E+01 704 0.270E+01
DAV: 5 -0.100307156431E+03 -0.80175E-01 -0.80140E-01 736 0.340E+00 0.222E+01
DAV: 6 -0.916872274284E+02 0.86199E+01 -0.30928E+01 680 0.299E+01 0.116E+01
DAV: 7 -0.908559357553E+02 0.83129E+00 -0.18319E+00 696 0.635E+00 0.483E+00
DAV: 8 -0.904600160692E+02 0.39592E+00 -0.53993E-01 704 0.424E+00 0.168E+00
DAV: 9 -0.903633634185E+02 0.96653E-01 -0.14048E-01 712 0.179E+00 0.434E-01
DAV: 10 -0.903552423724E+02 0.81210E-02 -0.40260E-02 704 0.104E+00 0.325E-01
DAV: 11 -0.903598225527E+02 -0.45802E-02 -0.10824E-02 605 0.682E-01 0.146E-01
DAV: 12 -0.903616966067E+02 -0.18741E-02 -0.32691E-03 640 0.289E-01 0.137E-01
DAV: 13 -0.903660420381E+02 -0.43454E-02 -0.45026E-03 624 0.457E-01 0.916E-02
DAV: 14 -0.903692835428E+02 -0.32415E-02 -0.11103E-03 677 0.187E-01 0.834E-02
DAV: 15 -0.903712095493E+02 -0.19260E-02 -0.93176E-04 656 0.204E-01 0.224E-02
DAV: 16 -0.903731659306E+02 -0.19564E-02 -0.34791E-04 661 0.960E-02 0.245E-02
DAV: 17 -0.903739989724E+02 -0.83304E-03 -0.69798E-05 605 0.475E-02 0.206E-02
DAV: 18 -0.903745142747E+02 -0.51530E-03 -0.96410E-05 690 0.581E-02 0.121E-02
DAV: 19 -0.903746257549E+02 -0.11148E-03 -0.28384E-05 632 0.393E-02 0.506E-03
DAV: 20 -0.903747369859E+02 -0.11123E-03 -0.20000E-05 428 0.227E-02 0.663E-03
DAV: 21 -0.903747934616E+02 -0.56476E-04 -0.63027E-06 472 0.176E-02 0.522E-03
DAV: 22 -0.903748234216E+02 -0.29960E-04 -0.14797E-05 458 0.233E-02 0.620E-03
DAV: 23 -0.903748277304E+02 -0.43088E-05 -0.28941E-06 520 0.147E-02
1 F= -.90374828E+02 E0= -.90383608E+02 d E =0.263406E-01