./iterations/neb0_image06_iter17_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 0.360893116662E+03 0.36089E+03 -0.14229E+04 632 0.799E+02
DAV: 2 0.312977016845E+01 -0.35776E+03 -0.34507E+03 877 0.193E+02
DAV: 3 -0.937789327889E+02 -0.96909E+02 -0.96400E+02 672 0.114E+02
DAV: 4 -0.983913960200E+02 -0.46125E+01 -0.45955E+01 704 0.280E+01
DAV: 5 -0.984893175463E+02 -0.97922E-01 -0.97880E-01 736 0.361E+00 0.216E+01
DAV: 6 -0.898375054024E+02 0.86518E+01 -0.32104E+01 701 0.309E+01 0.113E+01
DAV: 7 -0.890486588344E+02 0.78885E+00 -0.16836E+00 712 0.717E+00 0.487E+00
DAV: 8 -0.886597935350E+02 0.38887E+00 -0.69871E-01 704 0.465E+00 0.172E+00
DAV: 9 -0.885718205105E+02 0.87973E-01 -0.14968E-01 720 0.193E+00 0.543E-01
DAV: 10 -0.885605459605E+02 0.11275E-01 -0.21288E-02 736 0.783E-01 0.284E-01
DAV: 11 -0.885609554050E+02 -0.40944E-03 -0.13087E-02 664 0.692E-01 0.173E-01
DAV: 12 -0.885632410634E+02 -0.22857E-02 -0.33469E-03 688 0.388E-01 0.106E-01
DAV: 13 -0.885673391847E+02 -0.40981E-02 -0.26901E-03 620 0.265E-01 0.100E-01
DAV: 14 -0.885705741257E+02 -0.32349E-02 -0.11723E-03 637 0.193E-01 0.430E-02
DAV: 15 -0.885735575519E+02 -0.29834E-02 -0.88834E-04 664 0.174E-01 0.465E-02
DAV: 16 -0.885748915516E+02 -0.13340E-02 -0.26812E-04 728 0.108E-01 0.339E-02
DAV: 17 -0.885757450747E+02 -0.85352E-03 -0.35781E-04 719 0.120E-01 0.258E-02
DAV: 18 -0.885762250590E+02 -0.47998E-03 -0.96399E-05 693 0.639E-02 0.178E-02
DAV: 19 -0.885764353701E+02 -0.21031E-03 -0.49929E-05 661 0.396E-02 0.816E-03
DAV: 20 -0.885765497719E+02 -0.11440E-03 -0.17232E-05 445 0.255E-02 0.316E-03
DAV: 21 -0.885766154353E+02 -0.65663E-04 -0.86250E-06 445 0.127E-02 0.344E-03
DAV: 22 -0.885766347988E+02 -0.19363E-04 -0.31978E-06 436 0.105E-02 0.119E-03
DAV: 23 -0.885766424545E+02 -0.76557E-05 -0.20274E-06 437 0.641E-03
1 F= -.88576642E+02 E0= -.88580931E+02 d E =0.128658E-01