iterations/neb0_image03_iter126_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 0.366471160883E+03 0.36647E+03 -0.14319E+04 632 0.799E+02
DAV: 2 0.221273928681E+01 -0.36426E+03 -0.35307E+03 861 0.195E+02
DAV: 3 -0.958527808477E+02 -0.98066E+02 -0.97760E+02 677 0.116E+02
DAV: 4 -0.100182943428E+03 -0.43302E+01 -0.43206E+01 704 0.275E+01
DAV: 5 -0.100268746487E+03 -0.85803E-01 -0.85768E-01 736 0.346E+00 0.222E+01
DAV: 6 -0.916855535296E+02 0.85832E+01 -0.30723E+01 680 0.296E+01 0.116E+01
DAV: 7 -0.908439163672E+02 0.84164E+00 -0.18194E+00 712 0.640E+00 0.482E+00
DAV: 8 -0.904427470732E+02 0.40117E+00 -0.56307E-01 704 0.433E+00 0.167E+00
DAV: 9 -0.903474180180E+02 0.95329E-01 -0.12962E-01 712 0.186E+00 0.456E-01
DAV: 10 -0.903391226361E+02 0.82954E-02 -0.37296E-02 712 0.967E-01 0.334E-01
DAV: 11 -0.903417813151E+02 -0.26587E-02 -0.78247E-03 781 0.628E-01 0.155E-01
DAV: 12 -0.903437036266E+02 -0.19223E-02 -0.32391E-03 645 0.365E-01 0.114E-01
DAV: 13 -0.903484741650E+02 -0.47705E-02 -0.31561E-03 634 0.306E-01 0.852E-02
DAV: 14 -0.903527409154E+02 -0.42668E-02 -0.10074E-03 647 0.169E-01 0.430E-02
DAV: 15 -0.903546500558E+02 -0.19091E-02 -0.32991E-04 680 0.104E-01 0.226E-02
DAV: 16 -0.903563519694E+02 -0.17019E-02 -0.13805E-04 669 0.539E-02 0.135E-02
DAV: 17 -0.903574139885E+02 -0.10620E-02 -0.10957E-04 656 0.444E-02 0.650E-03
DAV: 18 -0.903576813336E+02 -0.26735E-03 -0.24496E-05 592 0.194E-02 0.537E-03
DAV: 19 -0.903578116615E+02 -0.13033E-03 -0.15134E-05 436 0.275E-02 0.422E-03
DAV: 20 -0.903578522128E+02 -0.40551E-04 -0.75728E-06 464 0.146E-02 0.403E-03
DAV: 21 -0.903578677801E+02 -0.15567E-04 -0.40634E-06 480 0.135E-02 0.209E-03
DAV: 22 -0.903578750193E+02 -0.72392E-05 -0.18956E-06 456 0.775E-03
1 F= -.90357875E+02 E0= -.90366534E+02 d E =0.259773E-01