./iterations/neb0_image04_iter25_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 0.365353533435E+03 0.36535E+03 -0.14291E+04 632 0.799E+02
DAV: 2 0.506772279515E+01 -0.36029E+03 -0.34760E+03 850 0.194E+02
DAV: 3 -0.941217789636E+02 -0.99190E+02 -0.98792E+02 672 0.115E+02
DAV: 4 -0.987905339846E+02 -0.46688E+01 -0.46550E+01 712 0.286E+01
DAV: 5 -0.988889569544E+02 -0.98423E-01 -0.98376E-01 712 0.367E+00 0.217E+01
DAV: 6 -0.903867493196E+02 0.85022E+01 -0.30700E+01 693 0.299E+01 0.113E+01
DAV: 7 -0.895788864755E+02 0.80786E+00 -0.16634E+00 728 0.636E+00 0.476E+00
DAV: 8 -0.891847303015E+02 0.39416E+00 -0.60237E-01 704 0.442E+00 0.167E+00
DAV: 9 -0.890917882582E+02 0.92942E-01 -0.13594E-01 728 0.172E+00 0.445E-01
DAV: 10 -0.890818069329E+02 0.99813E-02 -0.36365E-02 728 0.943E-01 0.313E-01
DAV: 11 -0.890849608792E+02 -0.31539E-02 -0.10787E-02 608 0.564E-01 0.145E-01
DAV: 12 -0.890863007511E+02 -0.13399E-02 -0.20259E-03 688 0.285E-01 0.117E-01
DAV: 13 -0.890917061769E+02 -0.54054E-02 -0.50877E-03 804 0.483E-01 0.102E-01
DAV: 14 -0.890936260840E+02 -0.19199E-02 -0.10010E-03 776 0.211E-01 0.516E-02
DAV: 15 -0.890966188802E+02 -0.29928E-02 -0.17299E-03 638 0.234E-01 0.621E-02
DAV: 16 -0.890975795369E+02 -0.96066E-03 -0.23013E-04 869 0.113E-01 0.316E-02
DAV: 17 -0.890989127212E+02 -0.13332E-02 -0.37434E-04 730 0.109E-01 0.166E-02
DAV: 18 -0.890993572672E+02 -0.44455E-03 -0.60377E-05 677 0.365E-02 0.207E-02
DAV: 19 -0.890995186376E+02 -0.16137E-03 -0.18446E-05 552 0.300E-02 0.102E-02
DAV: 20 -0.890996258159E+02 -0.10718E-03 -0.59778E-05 612 0.445E-02 0.945E-03
DAV: 21 -0.890996456990E+02 -0.19883E-04 -0.61746E-06 509 0.216E-02 0.372E-03
DAV: 22 -0.890996642356E+02 -0.18537E-04 -0.67567E-06 414 0.127E-02 0.960E-04
DAV: 23 -0.890996668933E+02 -0.26578E-05 -0.97119E-07 528 0.434E-03
1 F= -.89099667E+02 E0= -.89107132E+02 d E =0.223953E-01