iterations/neb0_image03_iter19_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 0.362610793374E+03 0.36261E+03 -0.14292E+04 632 0.799E+02
DAV: 2 0.429659836816E+01 -0.35831E+03 -0.34541E+03 837 0.193E+02
DAV: 3 -0.948604587566E+02 -0.99157E+02 -0.98783E+02 696 0.115E+02
DAV: 4 -0.993465839252E+02 -0.44861E+01 -0.44766E+01 712 0.274E+01
DAV: 5 -0.994343734908E+02 -0.87790E-01 -0.87745E-01 736 0.342E+00 0.217E+01
DAV: 6 -0.908888863318E+02 0.85455E+01 -0.30921E+01 688 0.299E+01 0.113E+01
DAV: 7 -0.900980539106E+02 0.79083E+00 -0.17097E+00 720 0.631E+00 0.477E+00
DAV: 8 -0.897096569107E+02 0.38840E+00 -0.58201E-01 728 0.438E+00 0.168E+00
DAV: 9 -0.896168722350E+02 0.92785E-01 -0.13554E-01 728 0.172E+00 0.440E-01
DAV: 10 -0.896086150802E+02 0.82572E-02 -0.42428E-02 728 0.108E+00 0.322E-01
DAV: 11 -0.896133545074E+02 -0.47394E-02 -0.12420E-02 608 0.670E-01 0.146E-01
DAV: 12 -0.896147205349E+02 -0.13660E-02 -0.33272E-03 636 0.291E-01 0.128E-01
DAV: 13 -0.896189382729E+02 -0.42177E-02 -0.45640E-03 754 0.477E-01 0.966E-02
DAV: 14 -0.896212456776E+02 -0.23074E-02 -0.97632E-04 690 0.181E-01 0.698E-02
DAV: 15 -0.896233998669E+02 -0.21542E-02 -0.10684E-03 677 0.183E-01 0.299E-02
DAV: 16 -0.896247146556E+02 -0.13148E-02 -0.13583E-04 690 0.656E-02 0.228E-02
DAV: 17 -0.896257348193E+02 -0.10202E-02 -0.14471E-04 685 0.648E-02 0.105E-02
DAV: 18 -0.896260582614E+02 -0.32344E-03 -0.41643E-05 685 0.342E-02 0.806E-03
DAV: 19 -0.896262178804E+02 -0.15962E-03 -0.11403E-05 461 0.161E-02 0.454E-03
DAV: 20 -0.896263172656E+02 -0.99385E-04 -0.19885E-05 517 0.222E-02 0.383E-03
DAV: 21 -0.896263430866E+02 -0.25821E-04 -0.29052E-06 501 0.911E-03 0.323E-03
DAV: 22 -0.896263503885E+02 -0.73019E-05 -0.26944E-06 434 0.104E-02
1 F= -.89626350E+02 E0= -.89631876E+02 d E =0.165756E-01