iterations/neb0_image05_iter39_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 0.372524496819E+03 0.37252E+03 -0.14311E+04 632 0.799E+02
DAV: 2 0.440102184268E+01 -0.36812E+03 -0.35665E+03 877 0.195E+02
DAV: 3 -0.933670759245E+02 -0.97768E+02 -0.97389E+02 624 0.116E+02
DAV: 4 -0.983177356443E+02 -0.49507E+01 -0.49357E+01 712 0.307E+01
DAV: 5 -0.984233173665E+02 -0.10558E+00 -0.10554E+00 696 0.402E+00 0.221E+01
DAV: 6 -0.900825985214E+02 0.83407E+01 -0.29569E+01 693 0.298E+01 0.114E+01
DAV: 7 -0.892468753668E+02 0.83572E+00 -0.16547E+00 712 0.649E+00 0.471E+00
DAV: 8 -0.888679591635E+02 0.37892E+00 -0.57648E-01 712 0.416E+00 0.165E+00
DAV: 9 -0.887778343700E+02 0.90125E-01 -0.13648E-01 720 0.172E+00 0.454E-01
DAV: 10 -0.887680174264E+02 0.98169E-02 -0.24246E-02 792 0.859E-01 0.289E-01
DAV: 11 -0.887703161414E+02 -0.22987E-02 -0.13281E-02 602 0.732E-01 0.165E-01
DAV: 12 -0.887719658825E+02 -0.16497E-02 -0.29251E-03 792 0.392E-01 0.107E-01
DAV: 13 -0.887764932602E+02 -0.45274E-02 -0.44804E-03 615 0.407E-01 0.108E-01
DAV: 14 -0.887786907862E+02 -0.21975E-02 -0.67154E-04 752 0.217E-01 0.596E-02
DAV: 15 -0.887817263940E+02 -0.30356E-02 -0.18112E-03 639 0.251E-01 0.573E-02
DAV: 16 -0.887835319076E+02 -0.18055E-02 -0.50364E-04 877 0.174E-01 0.233E-02
DAV: 17 -0.887843874715E+02 -0.85556E-03 -0.17652E-04 685 0.728E-02 0.169E-02
DAV: 18 -0.887852405509E+02 -0.85308E-03 -0.12172E-04 633 0.517E-02 0.109E-02
DAV: 19 -0.887854223723E+02 -0.18182E-03 -0.21003E-05 541 0.332E-02 0.585E-03
DAV: 20 -0.887855683653E+02 -0.14599E-03 -0.24620E-05 473 0.271E-02 0.431E-03
DAV: 21 -0.887856002579E+02 -0.31893E-04 -0.55113E-06 512 0.152E-02 0.370E-03
DAV: 22 -0.887856291219E+02 -0.28864E-04 -0.46479E-06 406 0.121E-02 0.178E-03
DAV: 23 -0.887856370956E+02 -0.79737E-05 -0.27240E-06 488 0.920E-03
1 F= -.88785637E+02 E0= -.88789763E+02 d E =0.123764E-01