iterations/neb0_image01_iter66_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 0.366584140111E+03 0.36658E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.343077513991E+01 -0.36315E+03 -0.34972E+03 839 0.195E+02
DAV: 3 -0.957785802754E+02 -0.99209E+02 -0.98869E+02 688 0.116E+02
DAV: 4 -0.100195018369E+03 -0.44164E+01 -0.44071E+01 693 0.278E+01
DAV: 5 -0.100282318185E+03 -0.87300E-01 -0.87249E-01 744 0.349E+00 0.222E+01
DAV: 6 -0.916736820546E+02 0.86086E+01 -0.31198E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908636376006E+02 0.81004E+00 -0.18167E+00 720 0.635E+00 0.484E+00
DAV: 8 -0.904825523659E+02 0.38109E+00 -0.55531E-01 704 0.425E+00 0.168E+00
DAV: 9 -0.903972686578E+02 0.85284E-01 -0.13737E-01 696 0.164E+00 0.430E-01
DAV: 10 -0.903916246672E+02 0.56440E-02 -0.46149E-02 728 0.127E+00 0.318E-01
DAV: 11 -0.903953446862E+02 -0.37200E-02 -0.67760E-03 616 0.476E-01 0.150E-01
DAV: 12 -0.903988454238E+02 -0.35007E-02 -0.71332E-03 616 0.490E-01 0.127E-01
DAV: 13 -0.904016920927E+02 -0.28467E-02 -0.12689E-03 800 0.301E-01 0.788E-02
DAV: 14 -0.904045733960E+02 -0.28813E-02 -0.16207E-03 631 0.195E-01 0.615E-02
DAV: 15 -0.904068225316E+02 -0.22491E-02 -0.46694E-04 712 0.141E-01 0.452E-02
DAV: 16 -0.904079555106E+02 -0.11330E-02 -0.63471E-04 661 0.143E-01 0.347E-02
DAV: 17 -0.904088710554E+02 -0.91554E-03 -0.19205E-04 839 0.935E-02 0.201E-02
DAV: 18 -0.904090400536E+02 -0.16900E-03 -0.38022E-05 712 0.307E-02 0.148E-02
DAV: 19 -0.904093066944E+02 -0.26664E-03 -0.56067E-05 633 0.393E-02 0.388E-03
DAV: 20 -0.904093527962E+02 -0.46102E-04 -0.51022E-06 480 0.124E-02 0.466E-03
DAV: 21 -0.904093973781E+02 -0.44582E-04 -0.46184E-06 428 0.107E-02 0.286E-03
DAV: 22 -0.904094164167E+02 -0.19039E-04 -0.44490E-06 477 0.967E-03 0.177E-03
DAV: 23 -0.904094189392E+02 -0.25225E-05 -0.86265E-07 520 0.514E-03
1 F= -.90409419E+02 E0= -.90414631E+02 d E =0.156349E-01