./iterations/neb0_image05_iter200_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 0.367335263833E+03 0.36734E+03 -0.14292E+04 624 0.799E+02
DAV: 2 0.490422415628E+01 -0.36243E+03 -0.34805E+03 840 0.195E+02
DAV: 3 -0.954192143016E+02 -0.10032E+03 -0.99976E+02 693 0.117E+02
DAV: 4 -0.998953632260E+02 -0.44761E+01 -0.44659E+01 712 0.276E+01
DAV: 5 -0.999833805882E+02 -0.88017E-01 -0.87975E-01 728 0.345E+00 0.220E+01
DAV: 6 -0.915194376630E+02 0.84639E+01 -0.30666E+01 680 0.300E+01 0.116E+01
DAV: 7 -0.907348317219E+02 0.78461E+00 -0.17749E+00 720 0.631E+00 0.480E+00
DAV: 8 -0.903675994006E+02 0.36723E+00 -0.52533E-01 704 0.421E+00 0.170E+00
DAV: 9 -0.902813344308E+02 0.86265E-01 -0.13816E-01 712 0.170E+00 0.436E-01
DAV: 10 -0.902750177884E+02 0.63166E-02 -0.40640E-02 792 0.122E+00 0.307E-01
DAV: 11 -0.902780316898E+02 -0.30139E-02 -0.64641E-03 616 0.511E-01 0.145E-01
DAV: 12 -0.902805121987E+02 -0.24805E-02 -0.56709E-03 616 0.456E-01 0.109E-01
DAV: 13 -0.902836162140E+02 -0.31040E-02 -0.11192E-03 741 0.248E-01 0.811E-02
DAV: 14 -0.902867989565E+02 -0.31827E-02 -0.15758E-03 641 0.179E-01 0.569E-02
DAV: 15 -0.902896172031E+02 -0.28182E-02 -0.75950E-04 808 0.193E-01 0.395E-02
DAV: 16 -0.902908939264E+02 -0.12767E-02 -0.48002E-04 688 0.117E-01 0.354E-02
DAV: 17 -0.902914880878E+02 -0.59416E-03 -0.14706E-04 864 0.786E-02 0.198E-02
DAV: 18 -0.902916031178E+02 -0.11503E-03 -0.48050E-05 696 0.371E-02 0.918E-03
DAV: 19 -0.902919222709E+02 -0.31915E-03 -0.41263E-05 569 0.303E-02 0.674E-03
DAV: 20 -0.902920076018E+02 -0.85331E-04 -0.84898E-06 496 0.166E-02 0.776E-03
DAV: 21 -0.902920267435E+02 -0.19142E-04 -0.47367E-06 480 0.157E-02 0.570E-03
DAV: 22 -0.902920492961E+02 -0.22553E-04 -0.12966E-05 436 0.282E-02 0.343E-03
DAV: 23 -0.902920506875E+02 -0.13914E-05 -0.53441E-06 496 0.135E-02
1 F= -.90292051E+02 E0= -.90298877E+02 d E =0.204790E-01