./iterations/neb0_image08_iter61_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 0.376327252920E+03 0.37633E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.381462860354E+01 -0.37251E+03 -0.35883E+03 869 0.196E+02
DAV: 3 -0.967773016480E+02 -0.10059E+03 -0.10026E+03 688 0.117E+02
DAV: 4 -0.101119058124E+03 -0.43418E+01 -0.43319E+01 696 0.276E+01
DAV: 5 -0.101203978240E+03 -0.84920E-01 -0.84883E-01 736 0.346E+00 0.227E+01
DAV: 6 -0.925707277541E+02 0.86333E+01 -0.30826E+01 701 0.302E+01 0.119E+01
DAV: 7 -0.916967517159E+02 0.87398E+00 -0.16827E+00 728 0.614E+00 0.481E+00
DAV: 8 -0.913159047392E+02 0.38085E+00 -0.55934E-01 704 0.403E+00 0.163E+00
DAV: 9 -0.912318904089E+02 0.84014E-01 -0.12941E-01 712 0.154E+00 0.427E-01
DAV: 10 -0.912222590659E+02 0.96313E-02 -0.48173E-02 720 0.113E+00 0.311E-01
DAV: 11 -0.912272316571E+02 -0.49726E-02 -0.15354E-02 616 0.638E-01 0.169E-01
DAV: 12 -0.912300465647E+02 -0.28149E-02 -0.33008E-03 633 0.247E-01 0.136E-01
DAV: 13 -0.912341116926E+02 -0.40651E-02 -0.28062E-03 709 0.302E-01 0.544E-02
DAV: 14 -0.912369810534E+02 -0.28694E-02 -0.47516E-04 656 0.113E-01 0.406E-02
DAV: 15 -0.912392465507E+02 -0.22655E-02 -0.21490E-04 645 0.606E-02 0.288E-02
DAV: 16 -0.912403101806E+02 -0.10636E-02 -0.31537E-04 666 0.851E-02 0.245E-02
DAV: 17 -0.912405735325E+02 -0.26335E-03 -0.37927E-05 608 0.400E-02 0.137E-02
DAV: 18 -0.912407962229E+02 -0.22269E-03 -0.49209E-05 628 0.307E-02 0.637E-03
DAV: 19 -0.912408237046E+02 -0.27482E-04 -0.44208E-06 528 0.172E-02 0.308E-03
DAV: 20 -0.912408658968E+02 -0.42192E-04 -0.94299E-06 392 0.175E-02 0.444E-03
DAV: 21 -0.912408784677E+02 -0.12571E-04 -0.18124E-06 469 0.965E-03 0.299E-03
DAV: 22 -0.912408817262E+02 -0.32585E-05 -0.28567E-06 493 0.103E-02
1 F= -.91240882E+02 E0= -.91245735E+02 d E =0.145609E-01