iterations/neb0_image09_iter115_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 0.374752669394E+03 0.37475E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.249986955246E+01 -0.37225E+03 -0.35991E+03 877 0.196E+02
DAV: 3 -0.967077259751E+02 -0.99208E+02 -0.98873E+02 656 0.117E+02
DAV: 4 -0.101244394406E+03 -0.45367E+01 -0.45272E+01 704 0.289E+01
DAV: 5 -0.101333685096E+03 -0.89291E-01 -0.89252E-01 736 0.367E+00 0.227E+01
DAV: 6 -0.926713343531E+02 0.86624E+01 -0.30883E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918036732455E+02 0.86766E+00 -0.17112E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914272020863E+02 0.37647E+00 -0.54193E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913443505493E+02 0.82852E-01 -0.13147E-01 712 0.155E+00 0.424E-01
DAV: 10 -0.913354905571E+02 0.88600E-02 -0.45802E-02 784 0.112E+00 0.304E-01
DAV: 11 -0.913399373309E+02 -0.44468E-02 -0.13042E-02 616 0.596E-01 0.143E-01
DAV: 12 -0.913428815803E+02 -0.29442E-02 -0.29777E-03 623 0.245E-01 0.111E-01
DAV: 13 -0.913466952952E+02 -0.38137E-02 -0.14530E-03 696 0.208E-01 0.441E-02
DAV: 14 -0.913501421402E+02 -0.34468E-02 -0.65108E-04 661 0.140E-01 0.363E-02
DAV: 15 -0.913514265894E+02 -0.12844E-02 -0.12921E-04 728 0.757E-02 0.340E-02
DAV: 16 -0.913528718047E+02 -0.14452E-02 -0.36390E-04 641 0.951E-02 0.198E-02
DAV: 17 -0.913532022764E+02 -0.33047E-03 -0.70524E-05 752 0.614E-02 0.118E-02
DAV: 18 -0.913534454443E+02 -0.24317E-03 -0.36447E-05 562 0.255E-02 0.107E-02
DAV: 19 -0.913535193179E+02 -0.73874E-04 -0.10721E-05 488 0.184E-02 0.438E-03
DAV: 20 -0.913535487781E+02 -0.29460E-04 -0.89111E-06 440 0.184E-02 0.250E-03
DAV: 21 -0.913535650629E+02 -0.16285E-04 -0.23603E-06 456 0.770E-03 0.241E-03
DAV: 22 -0.913535723494E+02 -0.72864E-05 -0.12693E-06 434 0.656E-03
1 F= -.91353572E+02 E0= -.91358378E+02 d E =0.144171E-01