iterations/neb0_image08_iter86_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 0.375459230376E+03 0.37546E+03 -0.14277E+04 624 0.799E+02
DAV: 2 0.366750514482E+01 -0.37179E+03 -0.35846E+03 869 0.196E+02
DAV: 3 -0.966834048798E+02 -0.10035E+03 -0.10001E+03 688 0.117E+02
DAV: 4 -0.101081922458E+03 -0.43985E+01 -0.43884E+01 688 0.276E+01
DAV: 5 -0.101169662748E+03 -0.87740E-01 -0.87701E-01 728 0.348E+00 0.226E+01
DAV: 6 -0.925761689550E+02 0.85935E+01 -0.30766E+01 698 0.302E+01 0.118E+01
DAV: 7 -0.917176922993E+02 0.85848E+00 -0.16794E+00 720 0.615E+00 0.480E+00
DAV: 8 -0.913387674776E+02 0.37892E+00 -0.55898E-01 704 0.403E+00 0.162E+00
DAV: 9 -0.912559110807E+02 0.82856E-01 -0.12897E-01 712 0.155E+00 0.425E-01
DAV: 10 -0.912465212868E+02 0.93898E-02 -0.46915E-02 720 0.112E+00 0.307E-01
DAV: 11 -0.912512343146E+02 -0.47130E-02 -0.13800E-02 624 0.603E-01 0.156E-01
DAV: 12 -0.912542231188E+02 -0.29888E-02 -0.32657E-03 618 0.254E-01 0.129E-01
DAV: 13 -0.912579193005E+02 -0.36962E-02 -0.18980E-03 781 0.253E-01 0.457E-02
DAV: 14 -0.912609143377E+02 -0.29950E-02 -0.50250E-04 648 0.113E-01 0.402E-02
DAV: 15 -0.912631170183E+02 -0.22027E-02 -0.20524E-04 653 0.663E-02 0.382E-02
DAV: 16 -0.912641840438E+02 -0.10670E-02 -0.36590E-04 669 0.963E-02 0.217E-02
DAV: 17 -0.912644828022E+02 -0.29876E-03 -0.56047E-05 680 0.549E-02 0.136E-02
DAV: 18 -0.912647225102E+02 -0.23971E-03 -0.49801E-05 626 0.317E-02 0.114E-02
DAV: 19 -0.912647718578E+02 -0.49348E-04 -0.59978E-06 488 0.193E-02 0.596E-03
DAV: 20 -0.912648088919E+02 -0.37034E-04 -0.17879E-05 407 0.270E-02 0.527E-03
DAV: 21 -0.912648290102E+02 -0.20118E-04 -0.35282E-06 472 0.122E-02 0.377E-03
DAV: 22 -0.912648374506E+02 -0.84404E-05 -0.36730E-06 416 0.115E-02
1 F= -.91264837E+02 E0= -.91269829E+02 d E =0.149734E-01