iterations/neb0_image08_iter79_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 0.376342437088E+03 0.37634E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.379271413427E+01 -0.37255E+03 -0.35910E+03 869 0.196E+02
DAV: 3 -0.968390932427E+02 -0.10063E+03 -0.10030E+03 696 0.117E+02
DAV: 4 -0.101141702633E+03 -0.43026E+01 -0.42929E+01 688 0.272E+01
DAV: 5 -0.101226173021E+03 -0.84470E-01 -0.84434E-01 728 0.341E+00 0.227E+01
DAV: 6 -0.925854787665E+02 0.86407E+01 -0.30816E+01 701 0.302E+01 0.119E+01
DAV: 7 -0.917124333923E+02 0.87305E+00 -0.16915E+00 728 0.615E+00 0.481E+00
DAV: 8 -0.913317106085E+02 0.38072E+00 -0.55756E-01 704 0.402E+00 0.163E+00
DAV: 9 -0.912482678684E+02 0.83443E-01 -0.13029E-01 712 0.155E+00 0.427E-01
DAV: 10 -0.912388317029E+02 0.94362E-02 -0.47594E-02 728 0.113E+00 0.309E-01
DAV: 11 -0.912435942229E+02 -0.47625E-02 -0.14436E-02 624 0.620E-01 0.159E-01
DAV: 12 -0.912465334829E+02 -0.29393E-02 -0.33002E-03 618 0.253E-01 0.130E-01
DAV: 13 -0.912502961083E+02 -0.37626E-02 -0.20168E-03 757 0.260E-01 0.459E-02
DAV: 14 -0.912534638496E+02 -0.31677E-02 -0.52914E-04 648 0.114E-01 0.413E-02
DAV: 15 -0.912555835630E+02 -0.21197E-02 -0.18792E-04 661 0.655E-02 0.372E-02
DAV: 16 -0.912566567873E+02 -0.10732E-02 -0.38966E-04 653 0.988E-02 0.238E-02
DAV: 17 -0.912569270379E+02 -0.27025E-03 -0.72182E-05 688 0.607E-02 0.124E-02
DAV: 18 -0.912571592003E+02 -0.23216E-03 -0.45571E-05 626 0.294E-02 0.113E-02
DAV: 19 -0.912571978093E+02 -0.38609E-04 -0.77624E-06 504 0.217E-02 0.484E-03
DAV: 20 -0.912572323472E+02 -0.34538E-04 -0.11782E-05 404 0.207E-02 0.404E-03
DAV: 21 -0.912572557699E+02 -0.23423E-04 -0.31804E-06 464 0.847E-03 0.329E-03
DAV: 22 -0.912572618484E+02 -0.60785E-05 -0.17759E-06 434 0.906E-03
1 F= -.91257262E+02 E0= -.91262394E+02 d E =0.153962E-01