iterations/neb0_image08_iter243_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 0.374647862769E+03 0.37465E+03 -0.14288E+04 624 0.799E+02
DAV: 2 0.377708903686E+01 -0.37087E+03 -0.35842E+03 869 0.196E+02
DAV: 3 -0.968194651126E+02 -0.10060E+03 -0.10028E+03 672 0.117E+02
DAV: 4 -0.101320928707E+03 -0.45015E+01 -0.44890E+01 720 0.284E+01
DAV: 5 -0.101407579244E+03 -0.86651E-01 -0.86602E-01 736 0.358E+00 0.228E+01
DAV: 6 -0.926761927476E+02 0.87314E+01 -0.30979E+01 725 0.300E+01 0.119E+01
DAV: 7 -0.917917990478E+02 0.88439E+00 -0.17377E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914137090905E+02 0.37809E+00 -0.54345E-01 712 0.396E+00 0.162E+00
DAV: 9 -0.913340838170E+02 0.79625E-01 -0.13454E-01 728 0.156E+00 0.421E-01
DAV: 10 -0.913263540030E+02 0.77298E-02 -0.46865E-02 736 0.113E+00 0.309E-01
DAV: 11 -0.913313594646E+02 -0.50055E-02 -0.16273E-02 624 0.664E-01 0.164E-01
DAV: 12 -0.913341090791E+02 -0.27496E-02 -0.30606E-03 631 0.238E-01 0.116E-01
DAV: 13 -0.913378271697E+02 -0.37181E-02 -0.31176E-03 645 0.293E-01 0.620E-02
DAV: 14 -0.913409234560E+02 -0.30963E-02 -0.10342E-03 653 0.183E-01 0.286E-02
DAV: 15 -0.913423347239E+02 -0.14113E-02 -0.18475E-04 680 0.738E-02 0.165E-02
DAV: 16 -0.913434204744E+02 -0.10858E-02 -0.13465E-04 639 0.606E-02 0.977E-03
DAV: 17 -0.913438096112E+02 -0.38914E-03 -0.32957E-05 608 0.259E-02 0.929E-03
DAV: 18 -0.913439748859E+02 -0.16527E-03 -0.21340E-05 517 0.282E-02 0.369E-03
DAV: 19 -0.913440556608E+02 -0.80775E-04 -0.94811E-06 461 0.129E-02 0.349E-03
DAV: 20 -0.913440714803E+02 -0.15819E-04 -0.22799E-06 496 0.790E-03 0.162E-03
DAV: 21 -0.913440861229E+02 -0.14643E-04 -0.36972E-06 406 0.111E-02 0.247E-03
DAV: 22 -0.913440871293E+02 -0.10063E-05 -0.76765E-07 496 0.500E-03
1 F= -.91344087E+02 E0= -.91349180E+02 d E =0.152783E-01