iterations/neb0_image08_iter91_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 0.375162541365E+03 0.37516E+03 -0.14276E+04 624 0.799E+02
DAV: 2 0.358744480405E+01 -0.37158E+03 -0.35834E+03 869 0.196E+02
DAV: 3 -0.966821730790E+02 -0.10027E+03 -0.99927E+02 688 0.117E+02
DAV: 4 -0.101078008869E+03 -0.43958E+01 -0.43857E+01 688 0.276E+01
DAV: 5 -0.101165871935E+03 -0.87863E-01 -0.87823E-01 736 0.348E+00 0.226E+01
DAV: 6 -0.925799306035E+02 0.85859E+01 -0.30753E+01 693 0.301E+01 0.118E+01
DAV: 7 -0.917227867283E+02 0.85714E+00 -0.16785E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.913440591456E+02 0.37873E+00 -0.56077E-01 704 0.404E+00 0.162E+00
DAV: 9 -0.912617809095E+02 0.82278E-01 -0.12851E-01 712 0.155E+00 0.425E-01
DAV: 10 -0.912524666450E+02 0.93143E-02 -0.46612E-02 720 0.112E+00 0.306E-01
DAV: 11 -0.912571513316E+02 -0.46847E-02 -0.13566E-02 624 0.598E-01 0.155E-01
DAV: 12 -0.912601374934E+02 -0.29862E-02 -0.31956E-03 606 0.254E-01 0.125E-01
DAV: 13 -0.912637198945E+02 -0.35824E-02 -0.16108E-03 736 0.234E-01 0.451E-02
DAV: 14 -0.912668217166E+02 -0.31018E-02 -0.61012E-04 645 0.124E-01 0.415E-02
DAV: 15 -0.912688374585E+02 -0.20157E-02 -0.19165E-04 653 0.754E-02 0.409E-02
DAV: 16 -0.912699988927E+02 -0.11614E-02 -0.41316E-04 658 0.102E-01 0.230E-02
DAV: 17 -0.912703269444E+02 -0.32805E-03 -0.90996E-05 760 0.679E-02 0.135E-02
DAV: 18 -0.912705668717E+02 -0.23993E-03 -0.43638E-05 626 0.287E-02 0.131E-02
DAV: 19 -0.912706268803E+02 -0.60009E-04 -0.88797E-06 480 0.201E-02 0.641E-03
DAV: 20 -0.912706611094E+02 -0.34229E-04 -0.15170E-05 432 0.243E-02 0.390E-03
DAV: 21 -0.912706797323E+02 -0.18623E-04 -0.33135E-06 464 0.943E-03 0.329E-03
DAV: 22 -0.912706918386E+02 -0.12106E-04 -0.22164E-06 412 0.903E-03 0.154E-03
DAV: 23 -0.912706948285E+02 -0.29898E-05 -0.12855E-06 472 0.596E-03
1 F= -.91270695E+02 E0= -.91275771E+02 d E =0.152285E-01