iterations/neb0_image05_iter279_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 0.368126456561E+03 0.36813E+03 -0.14312E+04 624 0.799E+02
DAV: 2 0.419346864886E+01 -0.36393E+03 -0.35083E+03 845 0.196E+02
DAV: 3 -0.952475282564E+02 -0.99441E+02 -0.99092E+02 637 0.117E+02
DAV: 4 -0.100163631999E+03 -0.49161E+01 -0.49036E+01 704 0.302E+01
DAV: 5 -0.100262450276E+03 -0.98818E-01 -0.98773E-01 728 0.384E+00 0.223E+01
DAV: 6 -0.915976522381E+02 0.86648E+01 -0.31026E+01 688 0.300E+01 0.118E+01
DAV: 7 -0.907684661838E+02 0.82919E+00 -0.17495E+00 712 0.628E+00 0.484E+00
DAV: 8 -0.903886348211E+02 0.37983E+00 -0.54680E-01 720 0.431E+00 0.171E+00
DAV: 9 -0.903030109412E+02 0.85624E-01 -0.12413E-01 728 0.183E+00 0.478E-01
DAV: 10 -0.902946136853E+02 0.83973E-02 -0.23018E-02 720 0.847E-01 0.308E-01
DAV: 11 -0.902952606468E+02 -0.64696E-03 -0.95053E-03 664 0.476E-01 0.190E-01
DAV: 12 -0.902982293409E+02 -0.29687E-02 -0.29206E-03 672 0.360E-01 0.101E-01
DAV: 13 -0.903016321515E+02 -0.34028E-02 -0.14107E-03 648 0.202E-01 0.926E-02
DAV: 14 -0.903057269777E+02 -0.40948E-02 -0.15174E-03 705 0.226E-01 0.453E-02
DAV: 15 -0.903082917316E+02 -0.25648E-02 -0.38905E-04 701 0.107E-01 0.343E-02
DAV: 16 -0.903108446643E+02 -0.25529E-02 -0.44077E-04 655 0.108E-01 0.223E-02
DAV: 17 -0.903117079553E+02 -0.86329E-03 -0.80462E-05 696 0.495E-02 0.143E-02
DAV: 18 -0.903122745396E+02 -0.56658E-03 -0.14219E-04 663 0.658E-02 0.112E-02
DAV: 19 -0.903123435881E+02 -0.69049E-04 -0.12814E-05 528 0.296E-02 0.601E-03
DAV: 20 -0.903124409701E+02 -0.97382E-04 -0.36862E-05 579 0.313E-02 0.643E-03
DAV: 21 -0.903124566754E+02 -0.15705E-04 -0.42995E-06 496 0.200E-02 0.211E-03
DAV: 22 -0.903124685572E+02 -0.11882E-04 -0.75402E-06 403 0.140E-02 0.311E-03
DAV: 23 -0.903124695948E+02 -0.10377E-05 -0.92935E-07 512 0.626E-03
1 F= -.90312470E+02 E0= -.90320459E+02 d E =0.239668E-01