iterations/neb0_image07_iter17_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 0.367826734728E+03 0.36783E+03 -0.14232E+04 624 0.799E+02
DAV: 2 0.283211968096E+01 -0.36499E+03 -0.35291E+03 869 0.195E+02
DAV: 3 -0.955686511374E+02 -0.98401E+02 -0.98041E+02 688 0.116E+02
DAV: 4 -0.997721268377E+02 -0.42035E+01 -0.41900E+01 728 0.271E+01
DAV: 5 -0.998559069146E+02 -0.83780E-01 -0.83740E-01 720 0.343E+00 0.219E+01
DAV: 6 -0.913213539132E+02 0.85346E+01 -0.30887E+01 704 0.301E+01 0.114E+01
DAV: 7 -0.905115967407E+02 0.80976E+00 -0.16844E+00 720 0.657E+00 0.476E+00
DAV: 8 -0.901441250571E+02 0.36747E+00 -0.65895E-01 704 0.441E+00 0.166E+00
DAV: 9 -0.900617657419E+02 0.82359E-01 -0.12983E-01 709 0.169E+00 0.483E-01
DAV: 10 -0.900515259310E+02 0.10240E-01 -0.27528E-02 720 0.765E-01 0.279E-01
DAV: 11 -0.900553281980E+02 -0.38023E-02 -0.13519E-02 602 0.729E-01 0.195E-01
DAV: 12 -0.900561338804E+02 -0.80568E-03 -0.36305E-03 712 0.397E-01 0.106E-01
DAV: 13 -0.900609118037E+02 -0.47779E-02 -0.46816E-03 609 0.410E-01 0.110E-01
DAV: 14 -0.900625434044E+02 -0.16316E-02 -0.10320E-03 757 0.233E-01 0.586E-02
DAV: 15 -0.900651222116E+02 -0.25788E-02 -0.14348E-03 725 0.238E-01 0.486E-02
DAV: 16 -0.900667064396E+02 -0.15842E-02 -0.24495E-04 818 0.115E-01 0.278E-02
DAV: 17 -0.900676080066E+02 -0.90157E-03 -0.13154E-04 677 0.576E-02 0.102E-02
DAV: 18 -0.900683582695E+02 -0.75026E-03 -0.71707E-05 577 0.351E-02 0.636E-03
DAV: 19 -0.900685580352E+02 -0.19977E-03 -0.12184E-05 493 0.164E-02 0.531E-03
DAV: 20 -0.900686449663E+02 -0.86931E-04 -0.12769E-05 468 0.142E-02 0.377E-03
DAV: 21 -0.900686668652E+02 -0.21899E-04 -0.31280E-06 490 0.140E-02 0.119E-03
DAV: 22 -0.900686822329E+02 -0.15368E-04 -0.40809E-06 409 0.103E-02 0.271E-03
DAV: 23 -0.900686841376E+02 -0.19048E-05 -0.81455E-07 493 0.609E-03
1 F= -.90068684E+02 E0= -.90073411E+02 d E =0.141798E-01