iterations/neb0_image06_iter13_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 0.361094722811E+03 0.36109E+03 -0.14177E+04 624 0.799E+02
DAV: 2 0.411488663290E+01 -0.35698E+03 -0.34400E+03 877 0.192E+02
DAV: 3 -0.930026041457E+02 -0.97117E+02 -0.96584E+02 680 0.114E+02
DAV: 4 -0.976440787283E+02 -0.46415E+01 -0.46230E+01 704 0.280E+01
DAV: 5 -0.977443897428E+02 -0.10031E+00 -0.10026E+00 704 0.364E+00 0.214E+01
DAV: 6 -0.892635681917E+02 0.84808E+01 -0.32361E+01 693 0.315E+01 0.112E+01
DAV: 7 -0.885519266417E+02 0.71164E+00 -0.16679E+00 720 0.721E+00 0.487E+00
DAV: 8 -0.881806646509E+02 0.37126E+00 -0.69211E-01 720 0.464E+00 0.174E+00
DAV: 9 -0.880901879851E+02 0.90477E-01 -0.15994E-01 741 0.208E+00 0.563E-01
DAV: 10 -0.880798943118E+02 0.10294E-01 -0.19468E-02 752 0.774E-01 0.310E-01
DAV: 11 -0.880789681073E+02 0.92620E-03 -0.15119E-02 664 0.740E-01 0.184E-01
DAV: 12 -0.880813926089E+02 -0.24245E-02 -0.44001E-03 669 0.421E-01 0.108E-01
DAV: 13 -0.880852091701E+02 -0.38166E-02 -0.23110E-03 634 0.260E-01 0.917E-02
DAV: 14 -0.880887730706E+02 -0.35639E-02 -0.98125E-04 631 0.176E-01 0.475E-02
DAV: 15 -0.880913782724E+02 -0.26052E-02 -0.76124E-04 712 0.178E-01 0.417E-02
DAV: 16 -0.880925301115E+02 -0.11518E-02 -0.26566E-04 664 0.103E-01 0.348E-02
DAV: 17 -0.880934394108E+02 -0.90930E-03 -0.34254E-04 722 0.120E-01 0.254E-02
DAV: 18 -0.880940088386E+02 -0.56943E-03 -0.12945E-04 757 0.698E-02 0.143E-02
DAV: 19 -0.880942436221E+02 -0.23478E-03 -0.31169E-05 573 0.305E-02 0.793E-03
DAV: 20 -0.880943928069E+02 -0.14918E-03 -0.41710E-05 618 0.343E-02 0.757E-03
DAV: 21 -0.880944341754E+02 -0.41368E-04 -0.57108E-06 469 0.201E-02 0.301E-03
DAV: 22 -0.880944533033E+02 -0.19128E-04 -0.62511E-06 412 0.118E-02 0.142E-03
DAV: 23 -0.880944593297E+02 -0.60264E-05 -0.10769E-06 461 0.441E-03
1 F= -.88094459E+02 E0= -.88098546E+02 d E =0.122603E-01