iterations/neb0_image01_iter115_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 0.366260137105E+03 0.36626E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.336116107126E+01 -0.36290E+03 -0.34962E+03 839 0.195E+02
DAV: 3 -0.956807143462E+02 -0.99042E+02 -0.98696E+02 677 0.116E+02
DAV: 4 -0.100193480655E+03 -0.45128E+01 -0.45031E+01 693 0.282E+01
DAV: 5 -0.100283782550E+03 -0.90302E-01 -0.90249E-01 744 0.355E+00 0.222E+01
DAV: 6 -0.916812663976E+02 0.86025E+01 -0.31069E+01 685 0.298E+01 0.117E+01
DAV: 7 -0.908725184393E+02 0.80875E+00 -0.18182E+00 720 0.636E+00 0.484E+00
DAV: 8 -0.904935109916E+02 0.37901E+00 -0.55868E-01 712 0.429E+00 0.167E+00
DAV: 9 -0.904097435219E+02 0.83767E-01 -0.13491E-01 704 0.164E+00 0.427E-01
DAV: 10 -0.904045716592E+02 0.51719E-02 -0.45276E-02 728 0.124E+00 0.315E-01
DAV: 11 -0.904084620717E+02 -0.38904E-02 -0.66190E-03 608 0.480E-01 0.139E-01
DAV: 12 -0.904120205217E+02 -0.35585E-02 -0.68279E-03 626 0.481E-01 0.127E-01
DAV: 13 -0.904146722022E+02 -0.26517E-02 -0.14159E-03 848 0.305E-01 0.750E-02
DAV: 14 -0.904176466950E+02 -0.29745E-02 -0.13868E-03 642 0.177E-01 0.580E-02
DAV: 15 -0.904196431658E+02 -0.19965E-02 -0.36282E-04 688 0.117E-01 0.450E-02
DAV: 16 -0.904210168765E+02 -0.13737E-02 -0.77351E-04 653 0.163E-01 0.358E-02
DAV: 17 -0.904218082481E+02 -0.79137E-03 -0.17121E-04 829 0.939E-02 0.217E-02
DAV: 18 -0.904219646126E+02 -0.15636E-03 -0.43244E-05 704 0.332E-02 0.136E-02
DAV: 19 -0.904222061509E+02 -0.24154E-03 -0.63996E-05 630 0.410E-02 0.618E-03
DAV: 20 -0.904222235028E+02 -0.17352E-04 -0.51394E-06 496 0.146E-02 0.631E-03
DAV: 21 -0.904222596482E+02 -0.36145E-04 -0.64554E-06 411 0.156E-02 0.466E-03
DAV: 22 -0.904222784171E+02 -0.18769E-04 -0.34752E-06 477 0.111E-02 0.307E-03
DAV: 23 -0.904222809327E+02 -0.25156E-05 -0.34680E-06 520 0.105E-02
1 F= -.90422281E+02 E0= -.90427329E+02 d E =0.151442E-01