iterations/neb0_image07_iter7_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 0.362773494091E+03 0.36277E+03 -0.14199E+04 624 0.799E+02
DAV: 2 0.275792852976E+01 -0.36002E+03 -0.34793E+03 874 0.193E+02
DAV: 3 -0.943286570221E+02 -0.97087E+02 -0.96656E+02 696 0.114E+02
DAV: 4 -0.987302310925E+02 -0.44016E+01 -0.43839E+01 720 0.274E+01
DAV: 5 -0.988231932108E+02 -0.92962E-01 -0.92908E-01 720 0.352E+00 0.216E+01
DAV: 6 -0.904443353456E+02 0.83789E+01 -0.31423E+01 680 0.310E+01 0.113E+01
DAV: 7 -0.896965600645E+02 0.74778E+00 -0.16137E+00 720 0.682E+00 0.483E+00
DAV: 8 -0.893274546353E+02 0.36911E+00 -0.64190E-01 696 0.440E+00 0.170E+00
DAV: 9 -0.892400673227E+02 0.87387E-01 -0.14962E-01 741 0.191E+00 0.509E-01
DAV: 10 -0.892308653472E+02 0.92020E-02 -0.18207E-02 792 0.718E-01 0.292E-01
DAV: 11 -0.892312821680E+02 -0.41682E-03 -0.13940E-02 624 0.681E-01 0.175E-01
DAV: 12 -0.892335572350E+02 -0.22751E-02 -0.34888E-03 728 0.392E-01 0.105E-01
DAV: 13 -0.892377837804E+02 -0.42265E-02 -0.31103E-03 601 0.291E-01 0.101E-01
DAV: 14 -0.892410960310E+02 -0.33123E-02 -0.13657E-03 631 0.205E-01 0.483E-02
DAV: 15 -0.892437076081E+02 -0.26116E-02 -0.90361E-04 741 0.186E-01 0.475E-02
DAV: 16 -0.892450353609E+02 -0.13278E-02 -0.31352E-04 741 0.123E-01 0.323E-02
DAV: 17 -0.892457201452E+02 -0.68478E-03 -0.31021E-04 717 0.105E-01 0.250E-02
DAV: 18 -0.892462323918E+02 -0.51225E-03 -0.87859E-05 733 0.625E-02 0.131E-02
DAV: 19 -0.892465511640E+02 -0.31877E-03 -0.59819E-05 669 0.401E-02 0.604E-03
DAV: 20 -0.892466512626E+02 -0.10010E-03 -0.94392E-06 453 0.166E-02 0.394E-03
DAV: 21 -0.892467007403E+02 -0.49478E-04 -0.82183E-06 436 0.147E-02 0.258E-03
DAV: 22 -0.892467135369E+02 -0.12797E-04 -0.39353E-06 458 0.106E-02 0.206E-03
DAV: 23 -0.892467169682E+02 -0.34314E-05 -0.10310E-06 449 0.500E-03
1 F= -.89246717E+02 E0= -.89250786E+02 d E =0.122083E-01