iterations/neb0_image08_iter159_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 0.373926347870E+03 0.37393E+03 -0.14278E+04 624 0.799E+02
DAV: 2 0.367247959714E+01 -0.37025E+03 -0.35814E+03 866 0.196E+02
DAV: 3 -0.966571076107E+02 -0.10033E+03 -0.10002E+03 669 0.117E+02
DAV: 4 -0.101225909044E+03 -0.45688E+01 -0.45554E+01 720 0.284E+01
DAV: 5 -0.101316044784E+03 -0.90136E-01 -0.90080E-01 712 0.361E+00 0.227E+01
DAV: 6 -0.926352871621E+02 0.86808E+01 -0.31045E+01 720 0.301E+01 0.119E+01
DAV: 7 -0.917753321593E+02 0.85996E+00 -0.17418E+00 712 0.615E+00 0.479E+00
DAV: 8 -0.914010988153E+02 0.37423E+00 -0.53665E-01 720 0.393E+00 0.163E+00
DAV: 9 -0.913198816038E+02 0.81217E-01 -0.13235E-01 712 0.156E+00 0.421E-01
DAV: 10 -0.913118498625E+02 0.80317E-02 -0.44308E-02 776 0.110E+00 0.298E-01
DAV: 11 -0.913163113787E+02 -0.44615E-02 -0.12206E-02 608 0.581E-01 0.133E-01
DAV: 12 -0.913193222453E+02 -0.30109E-02 -0.27552E-03 633 0.251E-01 0.105E-01
DAV: 13 -0.913227019711E+02 -0.33797E-02 -0.12231E-03 642 0.188E-01 0.455E-02
DAV: 14 -0.913258536529E+02 -0.31517E-02 -0.68823E-04 672 0.158E-01 0.338E-02
DAV: 15 -0.913273347789E+02 -0.14811E-02 -0.18485E-04 688 0.850E-02 0.373E-02
DAV: 16 -0.913286758595E+02 -0.13411E-02 -0.33247E-04 656 0.932E-02 0.154E-02
DAV: 17 -0.913291150384E+02 -0.43918E-03 -0.44345E-05 608 0.420E-02 0.145E-02
DAV: 18 -0.913293847823E+02 -0.26974E-03 -0.60536E-05 642 0.418E-02 0.119E-02
DAV: 19 -0.913294434512E+02 -0.58669E-04 -0.13783E-05 504 0.251E-02 0.455E-03
DAV: 20 -0.913294706729E+02 -0.27222E-04 -0.66164E-06 440 0.137E-02 0.178E-03
DAV: 21 -0.913294995171E+02 -0.28844E-04 -0.47183E-06 436 0.109E-02 0.201E-03
DAV: 22 -0.913295053161E+02 -0.57990E-05 -0.10958E-06 488 0.628E-03
1 F= -.91329505E+02 E0= -.91334481E+02 d E =0.149279E-01