./iterations/neb0_image09_iter206_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 0.374037341696E+03 0.37404E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.325026479023E+01 -0.37079E+03 -0.35813E+03 869 0.196E+02
DAV: 3 -0.967333381527E+02 -0.99984E+02 -0.99654E+02 661 0.117E+02
DAV: 4 -0.101265449136E+03 -0.45321E+01 -0.45215E+01 720 0.287E+01
DAV: 5 -0.101354196636E+03 -0.88747E-01 -0.88706E-01 720 0.365E+00 0.227E+01
DAV: 6 -0.926791942004E+02 0.86750E+01 -0.31000E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.918107413570E+02 0.86845E+00 -0.17227E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914350774693E+02 0.37566E+00 -0.54321E-01 712 0.394E+00 0.163E+00
DAV: 9 -0.913537192430E+02 0.81358E-01 -0.13135E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.913454833192E+02 0.82359E-02 -0.44270E-02 776 0.110E+00 0.299E-01
DAV: 11 -0.913498784832E+02 -0.43952E-02 -0.11893E-02 608 0.569E-01 0.133E-01
DAV: 12 -0.913530909895E+02 -0.32125E-02 -0.28700E-03 623 0.243E-01 0.111E-01
DAV: 13 -0.913566310970E+02 -0.35401E-02 -0.13917E-03 698 0.205E-01 0.425E-02
DAV: 14 -0.913598332609E+02 -0.32022E-02 -0.61274E-04 664 0.138E-01 0.346E-02
DAV: 15 -0.913612451580E+02 -0.14119E-02 -0.13420E-04 720 0.754E-02 0.328E-02
DAV: 16 -0.913626631406E+02 -0.14180E-02 -0.32939E-04 656 0.912E-02 0.181E-02
DAV: 17 -0.913630231166E+02 -0.35998E-03 -0.63519E-05 704 0.587E-02 0.121E-02
DAV: 18 -0.913632615560E+02 -0.23844E-03 -0.39602E-05 568 0.277E-02 0.973E-03
DAV: 19 -0.913633383618E+02 -0.76806E-04 -0.88440E-06 488 0.174E-02 0.457E-03
DAV: 20 -0.913633716722E+02 -0.33310E-04 -0.11050E-05 432 0.214E-02 0.280E-03
DAV: 21 -0.913633856314E+02 -0.13959E-04 -0.26996E-06 456 0.881E-03 0.275E-03
DAV: 22 -0.913633910521E+02 -0.54207E-05 -0.10239E-06 445 0.577E-03
1 F= -.91363391E+02 E0= -.91368186E+02 d E =0.143846E-01