./iterations/neb0_image02_iter64_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 0.368152886094E+03 0.36815E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.465158902186E+01 -0.36350E+03 -0.34873E+03 834 0.195E+02
DAV: 3 -0.957007375820E+02 -0.10035E+03 -0.10002E+03 688 0.116E+02
DAV: 4 -0.100174866498E+03 -0.44741E+01 -0.44640E+01 696 0.279E+01
DAV: 5 -0.100261660172E+03 -0.86794E-01 -0.86751E-01 736 0.348E+00 0.222E+01
DAV: 6 -0.916510164479E+02 0.86106E+01 -0.30998E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908273670997E+02 0.82365E+00 -0.18239E+00 704 0.633E+00 0.483E+00
DAV: 8 -0.904397942498E+02 0.38757E+00 -0.55874E-01 696 0.427E+00 0.169E+00
DAV: 9 -0.903495131725E+02 0.90281E-01 -0.14040E-01 712 0.166E+00 0.434E-01
DAV: 10 -0.903430171403E+02 0.64960E-02 -0.46024E-02 717 0.126E+00 0.319E-01
DAV: 11 -0.903466906471E+02 -0.36735E-02 -0.71640E-03 608 0.476E-01 0.150E-01
DAV: 12 -0.903500528471E+02 -0.33622E-02 -0.68438E-03 632 0.467E-01 0.126E-01
DAV: 13 -0.903529018302E+02 -0.28490E-02 -0.12534E-03 880 0.308E-01 0.798E-02
DAV: 14 -0.903559674946E+02 -0.30657E-02 -0.14877E-03 637 0.184E-01 0.564E-02
DAV: 15 -0.903584766020E+02 -0.25091E-02 -0.49134E-04 669 0.138E-01 0.416E-02
DAV: 16 -0.903596679440E+02 -0.11913E-02 -0.54576E-04 664 0.125E-01 0.329E-02
DAV: 17 -0.903605648641E+02 -0.89692E-03 -0.19233E-04 842 0.925E-02 0.161E-02
DAV: 18 -0.903607392236E+02 -0.17436E-03 -0.34648E-05 712 0.308E-02 0.104E-02
DAV: 19 -0.903609812663E+02 -0.24204E-03 -0.39862E-05 558 0.316E-02 0.596E-03
DAV: 20 -0.903610162339E+02 -0.34968E-04 -0.31285E-06 488 0.135E-02 0.444E-03
DAV: 21 -0.903610720175E+02 -0.55784E-04 -0.13362E-05 408 0.219E-02 0.306E-03
DAV: 22 -0.903610818099E+02 -0.97923E-05 -0.29657E-06 477 0.961E-03
1 F= -.90361082E+02 E0= -.90366926E+02 d E =0.175322E-01