iterations/neb0_image02_iter200_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 0.366992708920E+03 0.36699E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.213405421563E+01 -0.36486E+03 -0.35285E+03 858 0.196E+02
DAV: 3 -0.956541967442E+02 -0.97788E+02 -0.97457E+02 648 0.116E+02
DAV: 4 -0.100255045584E+03 -0.46008E+01 -0.45902E+01 712 0.291E+01
DAV: 5 -0.100344758751E+03 -0.89713E-01 -0.89676E-01 736 0.366E+00 0.223E+01
DAV: 6 -0.916795040114E+02 0.86653E+01 -0.30959E+01 672 0.299E+01 0.117E+01
DAV: 7 -0.908571131354E+02 0.82239E+00 -0.18350E+00 728 0.637E+00 0.485E+00
DAV: 8 -0.904750413449E+02 0.38207E+00 -0.55282E-01 696 0.430E+00 0.170E+00
DAV: 9 -0.903884178261E+02 0.86624E-01 -0.13754E-01 720 0.168E+00 0.429E-01
DAV: 10 -0.903830881262E+02 0.53297E-02 -0.50288E-02 704 0.129E+00 0.331E-01
DAV: 11 -0.903866512433E+02 -0.35631E-02 -0.80479E-03 616 0.580E-01 0.127E-01
DAV: 12 -0.903898080642E+02 -0.31568E-02 -0.74060E-03 648 0.449E-01 0.140E-01
DAV: 13 -0.903921794432E+02 -0.23714E-02 -0.19997E-03 872 0.349E-01 0.810E-02
DAV: 14 -0.903954562158E+02 -0.32768E-02 -0.14953E-03 621 0.187E-01 0.713E-02
DAV: 15 -0.903972562243E+02 -0.18000E-02 -0.30383E-04 688 0.102E-01 0.566E-02
DAV: 16 -0.903987866512E+02 -0.15304E-02 -0.11134E-03 672 0.200E-01 0.390E-02
DAV: 17 -0.903994938246E+02 -0.70717E-03 -0.13722E-04 680 0.798E-02 0.317E-02
DAV: 18 -0.903998453474E+02 -0.35152E-03 -0.10999E-04 658 0.512E-02 0.128E-02
DAV: 19 -0.904000122407E+02 -0.16689E-03 -0.53255E-05 648 0.378E-02 0.762E-03
DAV: 20 -0.904000472071E+02 -0.34966E-04 -0.44086E-06 496 0.151E-02 0.724E-03
DAV: 21 -0.904000888425E+02 -0.41635E-04 -0.84485E-06 409 0.154E-02 0.445E-03
DAV: 22 -0.904000957505E+02 -0.69079E-05 -0.56522E-06 480 0.148E-02
1 F= -.90400096E+02 E0= -.90406123E+02 d E =0.180831E-01