iterations/neb0_image02_iter14_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 0.365745160134E+03 0.36575E+03 -0.14289E+04 624 0.799E+02
DAV: 2 0.449939144447E+01 -0.36125E+03 -0.34731E+03 839 0.195E+02
DAV: 3 -0.952094953524E+02 -0.99709E+02 -0.99359E+02 688 0.116E+02
DAV: 4 -0.996834781471E+02 -0.44740E+01 -0.44629E+01 688 0.277E+01
DAV: 5 -0.997698911856E+02 -0.86413E-01 -0.86363E-01 736 0.346E+00 0.220E+01
DAV: 6 -0.909569960562E+02 0.88129E+01 -0.31793E+01 704 0.304E+01 0.115E+01
DAV: 7 -0.901780100730E+02 0.77899E+00 -0.18672E+00 720 0.638E+00 0.482E+00
DAV: 8 -0.897997526351E+02 0.37826E+00 -0.55589E-01 704 0.429E+00 0.175E+00
DAV: 9 -0.897050336761E+02 0.94719E-01 -0.14207E-01 720 0.165E+00 0.434E-01
DAV: 10 -0.896981122801E+02 0.69214E-02 -0.39781E-02 720 0.102E+00 0.304E-01
DAV: 11 -0.897029895446E+02 -0.48773E-02 -0.80942E-03 608 0.566E-01 0.115E-01
DAV: 12 -0.897054079776E+02 -0.24184E-02 -0.34891E-03 640 0.266E-01 0.115E-01
DAV: 13 -0.897092389889E+02 -0.38310E-02 -0.25722E-03 842 0.381E-01 0.849E-02
DAV: 14 -0.897114502716E+02 -0.22113E-02 -0.78843E-04 661 0.145E-01 0.613E-02
DAV: 15 -0.897136288442E+02 -0.21786E-02 -0.88272E-04 680 0.180E-01 0.302E-02
DAV: 16 -0.897147482045E+02 -0.11194E-02 -0.14151E-04 685 0.760E-02 0.229E-02
DAV: 17 -0.897154587277E+02 -0.71052E-03 -0.12869E-04 725 0.660E-02 0.120E-02
DAV: 18 -0.897159372739E+02 -0.47855E-03 -0.64297E-05 666 0.401E-02 0.791E-03
DAV: 19 -0.897160581307E+02 -0.12086E-03 -0.85747E-06 496 0.231E-02 0.425E-03
DAV: 20 -0.897161594227E+02 -0.10129E-03 -0.28215E-05 494 0.255E-02 0.715E-03
DAV: 21 -0.897161654139E+02 -0.59913E-05 -0.22458E-06 520 0.139E-02
1 F= -.89716165E+02 E0= -.89721706E+02 d E =0.166221E-01