iterations/neb0_image08_iter108_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 0.376268552545E+03 0.37627E+03 -0.14286E+04 624 0.799E+02
DAV: 2 0.347952811984E+01 -0.37279E+03 -0.35979E+03 869 0.196E+02
DAV: 3 -0.968521543686E+02 -0.10033E+03 -0.99994E+02 688 0.117E+02
DAV: 4 -0.101214428391E+03 -0.43623E+01 -0.43520E+01 696 0.275E+01
DAV: 5 -0.101300519573E+03 -0.86091E-01 -0.86056E-01 736 0.345E+00 0.228E+01
DAV: 6 -0.926248992420E+02 0.86756E+01 -0.30807E+01 714 0.302E+01 0.120E+01
DAV: 7 -0.917452682394E+02 0.87963E+00 -0.17176E+00 720 0.616E+00 0.481E+00
DAV: 8 -0.913654692401E+02 0.37980E+00 -0.55378E-01 712 0.401E+00 0.163E+00
DAV: 9 -0.912824306905E+02 0.83039E-01 -0.13199E-01 712 0.157E+00 0.425E-01
DAV: 10 -0.912734517188E+02 0.89790E-02 -0.47071E-02 752 0.114E+00 0.307E-01
DAV: 11 -0.912781294048E+02 -0.46777E-02 -0.14127E-02 624 0.620E-01 0.154E-01
DAV: 12 -0.912809313471E+02 -0.28019E-02 -0.29700E-03 609 0.247E-01 0.118E-01
DAV: 13 -0.912846487805E+02 -0.37174E-02 -0.17152E-03 682 0.226E-01 0.460E-02
DAV: 14 -0.912879818576E+02 -0.33331E-02 -0.63158E-04 656 0.147E-01 0.338E-02
DAV: 15 -0.912895609912E+02 -0.15791E-02 -0.19027E-04 664 0.811E-02 0.385E-02
DAV: 16 -0.912908732419E+02 -0.13123E-02 -0.37433E-04 639 0.102E-01 0.195E-02
DAV: 17 -0.912912023048E+02 -0.32906E-03 -0.57969E-05 688 0.553E-02 0.145E-02
DAV: 18 -0.912914312885E+02 -0.22898E-03 -0.43445E-05 637 0.324E-02 0.126E-02
DAV: 19 -0.912915500386E+02 -0.11875E-03 -0.13072E-05 472 0.196E-02 0.559E-03
DAV: 20 -0.912915881957E+02 -0.38157E-04 -0.10897E-05 456 0.194E-02 0.223E-03
DAV: 21 -0.912916121675E+02 -0.23972E-04 -0.47542E-06 403 0.105E-02 0.266E-03
DAV: 22 -0.912916160795E+02 -0.39119E-05 -0.82871E-07 504 0.458E-03
1 F= -.91291616E+02 E0= -.91296616E+02 d E =0.150006E-01