./iterations/neb0_image05_iter282_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 0.368063384516E+03 0.36806E+03 -0.14313E+04 624 0.799E+02
DAV: 2 0.417347717879E+01 -0.36389E+03 -0.35082E+03 845 0.196E+02
DAV: 3 -0.952556718308E+02 -0.99429E+02 -0.99080E+02 640 0.117E+02
DAV: 4 -0.100165714663E+03 -0.49100E+01 -0.48973E+01 712 0.302E+01
DAV: 5 -0.100264461596E+03 -0.98747E-01 -0.98703E-01 736 0.384E+00 0.223E+01
DAV: 6 -0.915929877674E+02 0.86715E+01 -0.31006E+01 672 0.300E+01 0.118E+01
DAV: 7 -0.907709230416E+02 0.82206E+00 -0.17944E+00 712 0.651E+00 0.485E+00
DAV: 8 -0.903849674351E+02 0.38596E+00 -0.52869E-01 720 0.442E+00 0.177E+00
DAV: 9 -0.902995977993E+02 0.85370E-01 -0.14138E-01 720 0.193E+00 0.523E-01
DAV: 10 -0.902887033495E+02 0.10894E-01 -0.26991E-02 720 0.897E-01 0.324E-01
DAV: 11 -0.902897232807E+02 -0.10199E-02 -0.11447E-02 704 0.546E-01 0.198E-01
DAV: 12 -0.902926269555E+02 -0.29037E-02 -0.39154E-03 680 0.395E-01 0.112E-01
DAV: 13 -0.902954407627E+02 -0.28138E-02 -0.11539E-03 656 0.204E-01 0.987E-02
DAV: 14 -0.902993699258E+02 -0.39292E-02 -0.17477E-03 689 0.257E-01 0.524E-02
DAV: 15 -0.903019672120E+02 -0.25973E-02 -0.49134E-04 685 0.117E-01 0.423E-02
DAV: 16 -0.903045670116E+02 -0.25998E-02 -0.50089E-04 698 0.139E-01 0.250E-02
DAV: 17 -0.903055793186E+02 -0.10123E-02 -0.14246E-04 712 0.581E-02 0.205E-02
DAV: 18 -0.903062783410E+02 -0.69902E-03 -0.13398E-04 644 0.694E-02 0.870E-03
DAV: 19 -0.903064802802E+02 -0.20194E-03 -0.43032E-05 624 0.334E-02 0.935E-03
DAV: 20 -0.903065322517E+02 -0.51971E-04 -0.50520E-06 504 0.152E-02 0.550E-03
DAV: 21 -0.903065905773E+02 -0.58326E-04 -0.23638E-05 494 0.279E-02 0.556E-03
DAV: 22 -0.903065969432E+02 -0.63660E-05 -0.26060E-06 496 0.116E-02
1 F= -.90306597E+02 E0= -.90314641E+02 d E =0.241309E-01