./iterations/neb0_image05_iter103_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 0.373260883069E+03 0.37326E+03 -0.14306E+04 632 0.799E+02
DAV: 2 0.365110789630E+01 -0.36961E+03 -0.35727E+03 882 0.194E+02
DAV: 3 -0.942476963402E+02 -0.97899E+02 -0.97541E+02 637 0.116E+02
DAV: 4 -0.988279440895E+02 -0.45802E+01 -0.45687E+01 704 0.296E+01
DAV: 5 -0.989260696524E+02 -0.98126E-01 -0.98073E-01 728 0.385E+00 0.219E+01
DAV: 6 -0.905601782730E+02 0.83659E+01 -0.28652E+01 674 0.288E+01 0.112E+01
DAV: 7 -0.896688083472E+02 0.89137E+00 -0.18042E+00 728 0.671E+00 0.469E+00
DAV: 8 -0.892736016280E+02 0.39521E+00 -0.63347E-01 712 0.453E+00 0.156E+00
DAV: 9 -0.891907040434E+02 0.82898E-01 -0.12556E-01 728 0.170E+00 0.452E-01
DAV: 10 -0.891785334067E+02 0.12171E-01 -0.52039E-02 728 0.123E+00 0.350E-01
DAV: 11 -0.891799634768E+02 -0.14301E-02 -0.13148E-02 640 0.656E-01 0.129E-01
DAV: 12 -0.891813648503E+02 -0.14014E-02 -0.33093E-03 680 0.327E-01 0.128E-01
DAV: 13 -0.891873330828E+02 -0.59682E-02 -0.38294E-03 679 0.410E-01 0.804E-02
DAV: 14 -0.891900215743E+02 -0.26885E-02 -0.89169E-04 688 0.165E-01 0.562E-02
DAV: 15 -0.891931125457E+02 -0.30910E-02 -0.13716E-03 634 0.211E-01 0.450E-02
DAV: 16 -0.891940819355E+02 -0.96939E-03 -0.17346E-04 760 0.910E-02 0.256E-02
DAV: 17 -0.891952691611E+02 -0.11872E-02 -0.25281E-04 628 0.818E-02 0.126E-02
DAV: 18 -0.891957700687E+02 -0.50091E-03 -0.47427E-05 608 0.370E-02 0.872E-03
DAV: 19 -0.891959509096E+02 -0.18084E-03 -0.29923E-05 528 0.301E-02 0.496E-03
DAV: 20 -0.891960555652E+02 -0.10466E-03 -0.15951E-05 430 0.183E-02 0.569E-03
DAV: 21 -0.891960708575E+02 -0.15292E-04 -0.23727E-06 504 0.986E-03 0.429E-03
DAV: 22 -0.891960819900E+02 -0.11132E-04 -0.81630E-06 409 0.186E-02 0.311E-03
DAV: 23 -0.891960824285E+02 -0.43853E-06 -0.16564E-06 544 0.868E-03
1 F= -.89196082E+02 E0= -.89200033E+02 d E =0.118526E-01