iterations/neb0_image05_iter61_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 0.373174452615E+03 0.37317E+03 -0.14309E+04 632 0.799E+02
DAV: 2 0.451640713278E+01 -0.36866E+03 -0.35648E+03 863 0.195E+02
DAV: 3 -0.937230575184E+02 -0.98239E+02 -0.97882E+02 640 0.116E+02
DAV: 4 -0.984929476425E+02 -0.47699E+01 -0.47560E+01 720 0.300E+01
DAV: 5 -0.985956531522E+02 -0.10271E+00 -0.10266E+00 712 0.392E+00 0.219E+01
DAV: 6 -0.903669132833E+02 0.82287E+01 -0.28728E+01 680 0.290E+01 0.112E+01
DAV: 7 -0.895215301206E+02 0.84538E+00 -0.17536E+00 728 0.654E+00 0.467E+00
DAV: 8 -0.891418794539E+02 0.37965E+00 -0.60260E-01 696 0.432E+00 0.155E+00
DAV: 9 -0.890572363528E+02 0.84643E-01 -0.12347E-01 712 0.158E+00 0.431E-01
DAV: 10 -0.890461755470E+02 0.11061E-01 -0.44113E-02 733 0.111E+00 0.321E-01
DAV: 11 -0.890485080270E+02 -0.23325E-02 -0.97260E-03 632 0.545E-01 0.122E-01
DAV: 12 -0.890507931465E+02 -0.22851E-02 -0.25646E-03 682 0.270E-01 0.103E-01
DAV: 13 -0.890560891183E+02 -0.52960E-02 -0.16680E-03 724 0.268E-01 0.669E-02
DAV: 14 -0.890588321002E+02 -0.27430E-02 -0.69489E-04 690 0.131E-01 0.358E-02
DAV: 15 -0.890616336538E+02 -0.28016E-02 -0.49047E-04 717 0.116E-01 0.279E-02
DAV: 16 -0.890627375341E+02 -0.11039E-02 -0.94525E-05 752 0.640E-02 0.124E-02
DAV: 17 -0.890638430680E+02 -0.11055E-02 -0.18302E-04 647 0.639E-02 0.162E-02
DAV: 18 -0.890640175482E+02 -0.17448E-03 -0.30803E-05 584 0.453E-02 0.841E-03
DAV: 19 -0.890640993732E+02 -0.81825E-04 -0.23852E-05 592 0.295E-02 0.563E-03
DAV: 20 -0.890642066206E+02 -0.10725E-03 -0.15300E-05 465 0.191E-02 0.489E-03
DAV: 21 -0.890642398241E+02 -0.33203E-04 -0.39004E-06 488 0.105E-02 0.340E-03
DAV: 22 -0.890642503884E+02 -0.10564E-04 -0.46887E-06 456 0.139E-02 0.217E-03
DAV: 23 -0.890642520138E+02 -0.16254E-05 -0.10884E-06 520 0.667E-03
1 F= -.89064252E+02 E0= -.89068124E+02 d E =0.116159E-01