iterations/neb0_image03_iter106_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 0.367033596591E+03 0.36703E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.340879560475E+01 -0.36362E+03 -0.35023E+03 837 0.195E+02
DAV: 3 -0.955872003422E+02 -0.98996E+02 -0.98678E+02 664 0.116E+02
DAV: 4 -0.100189644996E+03 -0.46024E+01 -0.45927E+01 712 0.288E+01
DAV: 5 -0.100281053423E+03 -0.91408E-01 -0.91371E-01 736 0.362E+00 0.222E+01
DAV: 6 -0.916763445434E+02 0.86047E+01 -0.30660E+01 685 0.296E+01 0.116E+01
DAV: 7 -0.908296411237E+02 0.84670E+00 -0.18289E+00 704 0.643E+00 0.483E+00
DAV: 8 -0.904263901185E+02 0.40325E+00 -0.56566E-01 680 0.438E+00 0.168E+00
DAV: 9 -0.903312948763E+02 0.95095E-01 -0.13476E-01 696 0.186E+00 0.467E-01
DAV: 10 -0.903223969560E+02 0.88979E-02 -0.39687E-02 728 0.104E+00 0.339E-01
DAV: 11 -0.903246601145E+02 -0.22632E-02 -0.62593E-03 728 0.573E-01 0.139E-01
DAV: 12 -0.903269991236E+02 -0.23390E-02 -0.42304E-03 626 0.324E-01 0.115E-01
DAV: 13 -0.903318762870E+02 -0.48772E-02 -0.29540E-03 672 0.339E-01 0.832E-02
DAV: 14 -0.903360845700E+02 -0.42083E-02 -0.82534E-04 661 0.176E-01 0.482E-02
DAV: 15 -0.903379892671E+02 -0.19047E-02 -0.47869E-04 680 0.121E-01 0.262E-02
DAV: 16 -0.903394721990E+02 -0.14829E-02 -0.13740E-04 685 0.708E-02 0.113E-02
DAV: 17 -0.903404247191E+02 -0.95252E-03 -0.10231E-04 608 0.405E-02 0.723E-03
DAV: 18 -0.903407236587E+02 -0.29894E-03 -0.30017E-05 600 0.198E-02 0.454E-03
DAV: 19 -0.903408316858E+02 -0.10803E-03 -0.88961E-06 447 0.145E-02 0.200E-03
DAV: 20 -0.903408668818E+02 -0.35196E-04 -0.57553E-06 464 0.102E-02 0.288E-03
DAV: 21 -0.903408790770E+02 -0.12195E-04 -0.18108E-06 472 0.941E-03 0.161E-03
DAV: 22 -0.903408839641E+02 -0.48870E-05 -0.18206E-06 432 0.724E-03
1 F= -.90340884E+02 E0= -.90349447E+02 d E =0.256903E-01