iterations/neb0_image09_iter77_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 0.374833212237E+03 0.37483E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.257047615705E+01 -0.37226E+03 -0.35989E+03 877 0.196E+02
DAV: 3 -0.966955537789E+02 -0.99266E+02 -0.98927E+02 656 0.117E+02
DAV: 4 -0.101236991653E+03 -0.45414E+01 -0.45321E+01 704 0.289E+01
DAV: 5 -0.101326589814E+03 -0.89598E-01 -0.89561E-01 736 0.368E+00 0.227E+01
DAV: 6 -0.926668621876E+02 0.86597E+01 -0.30855E+01 709 0.301E+01 0.119E+01
DAV: 7 -0.918001346213E+02 0.86673E+00 -0.17250E+00 728 0.616E+00 0.480E+00
DAV: 8 -0.914229960571E+02 0.37714E+00 -0.54445E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913401419491E+02 0.82854E-01 -0.13102E-01 701 0.155E+00 0.423E-01
DAV: 10 -0.913311784627E+02 0.89635E-02 -0.45918E-02 760 0.112E+00 0.304E-01
DAV: 11 -0.913358087131E+02 -0.46303E-02 -0.13539E-02 605 0.604E-01 0.150E-01
DAV: 12 -0.913387275716E+02 -0.29189E-02 -0.30192E-03 636 0.247E-01 0.114E-01
DAV: 13 -0.913424799838E+02 -0.37524E-02 -0.16176E-03 720 0.220E-01 0.437E-02
DAV: 14 -0.913459668847E+02 -0.34869E-02 -0.62499E-04 669 0.143E-01 0.337E-02
DAV: 15 -0.913473328424E+02 -0.13660E-02 -0.14164E-04 672 0.749E-02 0.356E-02
DAV: 16 -0.913486632361E+02 -0.13304E-02 -0.36267E-04 644 0.101E-01 0.211E-02
DAV: 17 -0.913489606519E+02 -0.29742E-03 -0.50301E-05 688 0.567E-02 0.132E-02
DAV: 18 -0.913492028903E+02 -0.24224E-03 -0.50904E-05 637 0.354E-02 0.128E-02
DAV: 19 -0.913493225359E+02 -0.11965E-03 -0.13914E-05 472 0.199E-02 0.565E-03
DAV: 20 -0.913493604310E+02 -0.37895E-04 -0.98421E-06 456 0.171E-02 0.177E-03
DAV: 21 -0.913493880189E+02 -0.27588E-04 -0.48847E-06 411 0.101E-02 0.218E-03
DAV: 22 -0.913493914347E+02 -0.34158E-05 -0.92151E-07 496 0.417E-03
1 F= -.91349391E+02 E0= -.91354288E+02 d E =0.146895E-01