iterations/neb0_image09_iter125_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 0.374397853411E+03 0.37440E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.246437774573E+01 -0.37193E+03 -0.35962E+03 877 0.196E+02
DAV: 3 -0.966841841141E+02 -0.99149E+02 -0.98812E+02 656 0.117E+02
DAV: 4 -0.101222618522E+03 -0.45384E+01 -0.45289E+01 704 0.289E+01
DAV: 5 -0.101312220957E+03 -0.89602E-01 -0.89564E-01 736 0.368E+00 0.227E+01
DAV: 6 -0.926667416505E+02 0.86455E+01 -0.30873E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918039702441E+02 0.86277E+00 -0.17089E+00 728 0.615E+00 0.479E+00
DAV: 8 -0.914280561796E+02 0.37591E+00 -0.54338E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913457883753E+02 0.82268E-01 -0.13081E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.913369975733E+02 0.87908E-02 -0.45375E-02 776 0.111E+00 0.303E-01
DAV: 11 -0.913414617999E+02 -0.44642E-02 -0.12937E-02 616 0.591E-01 0.144E-01
DAV: 12 -0.913444077348E+02 -0.29459E-02 -0.29459E-03 631 0.244E-01 0.109E-01
DAV: 13 -0.913481840309E+02 -0.37763E-02 -0.14245E-03 680 0.205E-01 0.444E-02
DAV: 14 -0.913516494112E+02 -0.34654E-02 -0.67581E-04 669 0.146E-01 0.347E-02
DAV: 15 -0.913528777876E+02 -0.12284E-02 -0.12897E-04 688 0.760E-02 0.342E-02
DAV: 16 -0.913542938664E+02 -0.14161E-02 -0.37244E-04 641 0.996E-02 0.205E-02
DAV: 17 -0.913546165644E+02 -0.32270E-03 -0.64978E-05 736 0.602E-02 0.119E-02
DAV: 18 -0.913548643748E+02 -0.24781E-03 -0.42806E-05 562 0.303E-02 0.111E-02
DAV: 19 -0.913549609221E+02 -0.96547E-04 -0.11481E-05 480 0.184E-02 0.529E-03
DAV: 20 -0.913549932155E+02 -0.32293E-04 -0.99446E-06 456 0.199E-02 0.211E-03
DAV: 21 -0.913550134243E+02 -0.20209E-04 -0.43028E-06 431 0.101E-02 0.296E-03
DAV: 22 -0.913550178757E+02 -0.44515E-05 -0.77072E-07 474 0.454E-03
1 F= -.91355018E+02 E0= -.91359807E+02 d E =0.143686E-01