./iterations/neb0_image04_iter183_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 0.363527511520E+03 0.36353E+03 -0.14358E+04 640 0.799E+02
DAV: 2 0.934097504426E+00 -0.36259E+03 -0.34975E+03 863 0.193E+02
DAV: 3 -0.959872640792E+02 -0.96921E+02 -0.96622E+02 661 0.115E+02
DAV: 4 -0.100266540975E+03 -0.42793E+01 -0.42692E+01 696 0.280E+01
DAV: 5 -0.100348017837E+03 -0.81477E-01 -0.81444E-01 736 0.350E+00 0.223E+01
DAV: 6 -0.916360931986E+02 0.87119E+01 -0.31022E+01 687 0.297E+01 0.117E+01
DAV: 7 -0.907711501985E+02 0.86494E+00 -0.17830E+00 696 0.629E+00 0.483E+00
DAV: 8 -0.903622509623E+02 0.40890E+00 -0.56478E-01 712 0.428E+00 0.166E+00
DAV: 9 -0.902684578053E+02 0.93793E-01 -0.12478E-01 712 0.192E+00 0.481E-01
DAV: 10 -0.902587318184E+02 0.97260E-02 -0.31317E-02 720 0.900E-01 0.334E-01
DAV: 11 -0.902608312114E+02 -0.20994E-02 -0.11293E-02 688 0.678E-01 0.237E-01
DAV: 12 -0.902626592876E+02 -0.18281E-02 -0.31454E-03 752 0.546E-01 0.116E-01
DAV: 13 -0.902669739806E+02 -0.43147E-02 -0.29368E-03 628 0.301E-01 0.959E-02
DAV: 14 -0.902707315829E+02 -0.37576E-02 -0.99524E-04 634 0.168E-01 0.378E-02
DAV: 15 -0.902735378258E+02 -0.28062E-02 -0.51174E-04 672 0.106E-01 0.326E-02
DAV: 16 -0.902757173707E+02 -0.21795E-02 -0.30722E-04 722 0.121E-01 0.215E-02
DAV: 17 -0.902766738357E+02 -0.95647E-03 -0.12327E-04 672 0.538E-02 0.199E-02
DAV: 18 -0.902770731520E+02 -0.39932E-03 -0.12740E-04 744 0.784E-02 0.115E-02
DAV: 19 -0.902772761731E+02 -0.20302E-03 -0.30617E-05 612 0.286E-02 0.119E-02
DAV: 20 -0.902773466500E+02 -0.70477E-04 -0.78498E-06 480 0.151E-02 0.776E-03
DAV: 21 -0.902774286032E+02 -0.81953E-04 -0.30409E-05 545 0.312E-02 0.463E-03
DAV: 22 -0.902774384320E+02 -0.98288E-05 -0.28849E-06 496 0.110E-02
1 F= -.90277438E+02 E0= -.90286036E+02 d E =0.257926E-01