iterations/neb0_image09_iter120_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 0.374612773361E+03 0.37461E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.247959252571E+01 -0.37213E+03 -0.35980E+03 877 0.196E+02
DAV: 3 -0.968229663732E+02 -0.99303E+02 -0.98967E+02 664 0.117E+02
DAV: 4 -0.101258270934E+03 -0.44353E+01 -0.44260E+01 704 0.285E+01
DAV: 5 -0.101344758499E+03 -0.86488E-01 -0.86450E-01 736 0.361E+00 0.227E+01
DAV: 6 -0.926761335549E+02 0.86686E+01 -0.30912E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918049802415E+02 0.87115E+00 -0.17135E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914276433560E+02 0.37734E+00 -0.54212E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913451185215E+02 0.82525E-01 -0.13171E-01 712 0.155E+00 0.425E-01
DAV: 10 -0.913363616746E+02 0.87568E-02 -0.46416E-02 792 0.113E+00 0.305E-01
DAV: 11 -0.913408607249E+02 -0.44991E-02 -0.13502E-02 616 0.609E-01 0.145E-01
DAV: 12 -0.913437085318E+02 -0.28478E-02 -0.29468E-03 631 0.240E-01 0.116E-01
DAV: 13 -0.913476248519E+02 -0.39163E-02 -0.18863E-03 704 0.232E-01 0.446E-02
DAV: 14 -0.913510419340E+02 -0.34171E-02 -0.55661E-04 669 0.130E-01 0.302E-02
DAV: 15 -0.913524996282E+02 -0.14577E-02 -0.13886E-04 680 0.681E-02 0.320E-02
DAV: 16 -0.913537397843E+02 -0.12402E-02 -0.31808E-04 655 0.918E-02 0.196E-02
DAV: 17 -0.913539948672E+02 -0.25508E-03 -0.39457E-05 656 0.454E-02 0.133E-02
DAV: 18 -0.913542169068E+02 -0.22204E-03 -0.52299E-05 629 0.378E-02 0.110E-02
DAV: 19 -0.913543194912E+02 -0.10258E-03 -0.99090E-06 480 0.222E-02 0.561E-03
DAV: 20 -0.913543552185E+02 -0.35727E-04 -0.16257E-05 448 0.230E-02 0.354E-03
DAV: 21 -0.913543739057E+02 -0.18687E-04 -0.28411E-06 450 0.106E-02 0.221E-03
DAV: 22 -0.913543811649E+02 -0.72592E-05 -0.24083E-06 434 0.908E-03
1 F= -.91354381E+02 E0= -.91359191E+02 d E =0.144303E-01