iterations/neb0_image05_iter207_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 0.366043350672E+03 0.36604E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.344876431682E+01 -0.36259E+03 -0.34940E+03 856 0.194E+02
DAV: 3 -0.953167510609E+02 -0.98766E+02 -0.98436E+02 685 0.116E+02
DAV: 4 -0.997370939598E+02 -0.44203E+01 -0.44090E+01 696 0.276E+01
DAV: 5 -0.998261977428E+02 -0.89104E-01 -0.89057E-01 728 0.347E+00 0.219E+01
DAV: 6 -0.914326132510E+02 0.83936E+01 -0.30507E+01 704 0.297E+01 0.116E+01
DAV: 7 -0.906501281580E+02 0.78249E+00 -0.17447E+00 720 0.641E+00 0.481E+00
DAV: 8 -0.902807839975E+02 0.36934E+00 -0.53742E-01 712 0.432E+00 0.168E+00
DAV: 9 -0.901963832409E+02 0.84401E-01 -0.13864E-01 720 0.171E+00 0.449E-01
DAV: 10 -0.901895266016E+02 0.68566E-02 -0.34346E-02 760 0.113E+00 0.297E-01
DAV: 11 -0.901921959685E+02 -0.26694E-02 -0.58150E-03 616 0.505E-01 0.153E-01
DAV: 12 -0.901944845587E+02 -0.22886E-02 -0.43582E-03 616 0.428E-01 0.996E-02
DAV: 13 -0.901979781253E+02 -0.34936E-02 -0.11348E-03 647 0.210E-01 0.787E-02
DAV: 14 -0.902012907276E+02 -0.33126E-02 -0.11114E-03 644 0.156E-01 0.388E-02
DAV: 15 -0.902038969172E+02 -0.26062E-02 -0.34700E-04 680 0.117E-01 0.273E-02
DAV: 16 -0.902052131035E+02 -0.13162E-02 -0.24417E-04 688 0.761E-02 0.231E-02
DAV: 17 -0.902058892698E+02 -0.67617E-03 -0.11885E-04 752 0.810E-02 0.126E-02
DAV: 18 -0.902061729738E+02 -0.28370E-03 -0.72983E-05 647 0.475E-02 0.146E-02
DAV: 19 -0.902062961364E+02 -0.12316E-03 -0.27915E-05 536 0.354E-02 0.869E-03
DAV: 20 -0.902063264454E+02 -0.30309E-04 -0.11734E-05 496 0.220E-02 0.362E-03
DAV: 21 -0.902063639909E+02 -0.37546E-04 -0.83965E-06 415 0.161E-02 0.228E-03
DAV: 22 -0.902063762876E+02 -0.12297E-04 -0.26865E-06 477 0.748E-03 0.285E-03
DAV: 23 -0.902063790876E+02 -0.28000E-05 -0.68322E-07 464 0.549E-03
1 F= -.90206379E+02 E0= -.90215320E+02 d E =0.268240E-01