./iterations/neb0_image06_iter197_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 0.370915443551E+03 0.37092E+03 -0.14347E+04 640 0.799E+02
DAV: 2 0.452348004074E+01 -0.36639E+03 -0.35430E+03 858 0.193E+02
DAV: 3 -0.957478397580E+02 -0.10027E+03 -0.99938E+02 677 0.116E+02
DAV: 4 -0.100439768791E+03 -0.46919E+01 -0.46780E+01 728 0.284E+01
DAV: 5 -0.100535259036E+03 -0.95490E-01 -0.95436E-01 736 0.360E+00 0.226E+01
DAV: 6 -0.919468447223E+02 0.85884E+01 -0.30652E+01 709 0.303E+01 0.118E+01
DAV: 7 -0.911205727386E+02 0.82627E+00 -0.17733E+00 704 0.628E+00 0.480E+00
DAV: 8 -0.907435935620E+02 0.37698E+00 -0.54384E-01 712 0.410E+00 0.167E+00
DAV: 9 -0.906522819109E+02 0.91312E-01 -0.13030E-01 704 0.159E+00 0.423E-01
DAV: 10 -0.906419318532E+02 0.10350E-01 -0.38056E-02 752 0.966E-01 0.287E-01
DAV: 11 -0.906462123433E+02 -0.42805E-02 -0.10045E-02 599 0.525E-01 0.150E-01
DAV: 12 -0.906486898839E+02 -0.24775E-02 -0.21878E-03 634 0.258E-01 0.864E-02
DAV: 13 -0.906530135496E+02 -0.43237E-02 -0.18753E-03 639 0.211E-01 0.648E-02
DAV: 14 -0.906554569908E+02 -0.24434E-02 -0.56605E-04 912 0.181E-01 0.303E-02
DAV: 15 -0.906581443279E+02 -0.26873E-02 -0.42496E-04 607 0.989E-02 0.349E-02
DAV: 16 -0.906594030628E+02 -0.12587E-02 -0.13759E-04 717 0.704E-02 0.181E-02
DAV: 17 -0.906602783481E+02 -0.87529E-03 -0.20722E-04 626 0.741E-02 0.177E-02
DAV: 18 -0.906605038702E+02 -0.22552E-03 -0.37886E-05 672 0.392E-02 0.870E-03
DAV: 19 -0.906605761674E+02 -0.72297E-04 -0.19564E-05 493 0.268E-02 0.462E-03
DAV: 20 -0.906606160633E+02 -0.39896E-04 -0.71317E-06 444 0.158E-02 0.348E-03
DAV: 21 -0.906606438513E+02 -0.27788E-04 -0.43674E-06 412 0.127E-02 0.238E-03
DAV: 22 -0.906606491228E+02 -0.52716E-05 -0.16414E-06 504 0.783E-03
1 F= -.90660649E+02 E0= -.90665883E+02 d E =0.157018E-01