iterations/neb0_image03_iter263_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 0.363300295162E+03 0.36330E+03 -0.14324E+04 632 0.799E+02
DAV: 2 0.522084665191E+00 -0.36278E+03 -0.35216E+03 853 0.195E+02
DAV: 3 -0.960443588311E+02 -0.96566E+02 -0.96266E+02 661 0.115E+02
DAV: 4 -0.100323826523E+03 -0.42795E+01 -0.42700E+01 712 0.279E+01
DAV: 5 -0.100408289332E+03 -0.84463E-01 -0.84437E-01 744 0.351E+00 0.223E+01
DAV: 6 -0.917283890538E+02 0.86799E+01 -0.31341E+01 680 0.300E+01 0.117E+01
DAV: 7 -0.908823643760E+02 0.84602E+00 -0.17928E+00 720 0.637E+00 0.485E+00
DAV: 8 -0.904879834160E+02 0.39438E+00 -0.56356E-01 696 0.432E+00 0.170E+00
DAV: 9 -0.903966159438E+02 0.91367E-01 -0.13684E-01 712 0.167E+00 0.442E-01
DAV: 10 -0.903902819807E+02 0.63340E-02 -0.48925E-02 712 0.128E+00 0.338E-01
DAV: 11 -0.903939300386E+02 -0.36481E-02 -0.68890E-03 624 0.573E-01 0.138E-01
DAV: 12 -0.903978539913E+02 -0.39240E-02 -0.76620E-03 624 0.432E-01 0.136E-01
DAV: 13 -0.904016104388E+02 -0.37564E-02 -0.20130E-03 888 0.356E-01 0.897E-02
DAV: 14 -0.904047068914E+02 -0.30965E-02 -0.13322E-03 645 0.169E-01 0.671E-02
DAV: 15 -0.904069378955E+02 -0.22310E-02 -0.44641E-04 688 0.120E-01 0.371E-02
DAV: 16 -0.904083890585E+02 -0.14512E-02 -0.54885E-04 658 0.125E-01 0.330E-02
DAV: 17 -0.904091745833E+02 -0.78552E-03 -0.18135E-04 768 0.890E-02 0.115E-02
DAV: 18 -0.904095171412E+02 -0.34256E-03 -0.69664E-05 674 0.400E-02 0.934E-03
DAV: 19 -0.904096141189E+02 -0.96978E-04 -0.77803E-06 480 0.161E-02 0.509E-03
DAV: 20 -0.904096959718E+02 -0.81853E-04 -0.15983E-05 477 0.196E-02 0.267E-03
DAV: 21 -0.904097282628E+02 -0.32291E-04 -0.40329E-06 469 0.856E-03 0.284E-03
DAV: 22 -0.904097338694E+02 -0.56066E-05 -0.15268E-06 536 0.714E-03
1 F= -.90409734E+02 E0= -.90417076E+02 d E =0.220262E-01