iterations/neb0_image09_iter202_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 0.374072578514E+03 0.37407E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.325389732626E+01 -0.37082E+03 -0.35814E+03 869 0.196E+02
DAV: 3 -0.967371446442E+02 -0.99991E+02 -0.99661E+02 661 0.117E+02
DAV: 4 -0.101269580480E+03 -0.45324E+01 -0.45219E+01 720 0.287E+01
DAV: 5 -0.101358261107E+03 -0.88681E-01 -0.88639E-01 720 0.365E+00 0.227E+01
DAV: 6 -0.926796867732E+02 0.86786E+01 -0.31005E+01 714 0.301E+01 0.119E+01
DAV: 7 -0.918103134535E+02 0.86937E+00 -0.17202E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914343795165E+02 0.37593E+00 -0.54239E-01 712 0.394E+00 0.163E+00
DAV: 9 -0.913529510512E+02 0.81428E-01 -0.13134E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.913446905848E+02 0.82605E-02 -0.44441E-02 776 0.110E+00 0.300E-01
DAV: 11 -0.913491340661E+02 -0.44435E-02 -0.12078E-02 616 0.573E-01 0.134E-01
DAV: 12 -0.913523170818E+02 -0.31830E-02 -0.28808E-03 623 0.244E-01 0.111E-01
DAV: 13 -0.913558547353E+02 -0.35377E-02 -0.14200E-03 701 0.206E-01 0.426E-02
DAV: 14 -0.913591417965E+02 -0.32871E-02 -0.63368E-04 664 0.144E-01 0.342E-02
DAV: 15 -0.913604701359E+02 -0.13283E-02 -0.12906E-04 680 0.758E-02 0.330E-02
DAV: 16 -0.913619064388E+02 -0.14363E-02 -0.37218E-04 648 0.101E-01 0.210E-02
DAV: 17 -0.913622161992E+02 -0.30976E-03 -0.73368E-05 744 0.669E-02 0.124E-02
DAV: 18 -0.913624432339E+02 -0.22703E-03 -0.36743E-05 568 0.270E-02 0.973E-03
DAV: 19 -0.913625568259E+02 -0.11359E-03 -0.12234E-05 480 0.164E-02 0.468E-03
DAV: 20 -0.913625956132E+02 -0.38787E-04 -0.92454E-06 440 0.190E-02 0.218E-03
DAV: 21 -0.913626127714E+02 -0.17158E-04 -0.46942E-06 437 0.105E-02 0.311E-03
DAV: 22 -0.913626154672E+02 -0.26959E-05 -0.72011E-07 504 0.553E-03
1 F= -.91362615E+02 E0= -.91367486E+02 d E =0.146128E-01