iterations/neb0_image07_iter110_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 0.377990796387E+03 0.37799E+03 -0.14287E+04 624 0.799E+02
DAV: 2 0.344658922632E+01 -0.37454E+03 -0.36247E+03 877 0.196E+02
DAV: 3 -0.964436305938E+02 -0.99890E+02 -0.99553E+02 656 0.117E+02
DAV: 4 -0.101042566832E+03 -0.45989E+01 -0.45878E+01 696 0.290E+01
DAV: 5 -0.101134441749E+03 -0.91875E-01 -0.91838E-01 728 0.369E+00 0.228E+01
DAV: 6 -0.924511161285E+02 0.86833E+01 -0.30692E+01 693 0.303E+01 0.120E+01
DAV: 7 -0.915698660608E+02 0.88125E+00 -0.16892E+00 736 0.614E+00 0.482E+00
DAV: 8 -0.911867483190E+02 0.38312E+00 -0.55360E-01 712 0.401E+00 0.163E+00
DAV: 9 -0.911024416333E+02 0.84307E-01 -0.13391E-01 728 0.156E+00 0.426E-01
DAV: 10 -0.910932167834E+02 0.92248E-02 -0.47644E-02 741 0.113E+00 0.310E-01
DAV: 11 -0.910976231754E+02 -0.44064E-02 -0.12225E-02 616 0.582E-01 0.132E-01
DAV: 12 -0.911009226441E+02 -0.32995E-02 -0.36014E-03 608 0.276E-01 0.144E-01
DAV: 13 -0.911047349812E+02 -0.38123E-02 -0.25208E-03 725 0.311E-01 0.541E-02
DAV: 14 -0.911073375077E+02 -0.26025E-02 -0.61389E-04 653 0.114E-01 0.571E-02
DAV: 15 -0.911099686664E+02 -0.26312E-02 -0.32255E-04 637 0.908E-02 0.327E-02
DAV: 16 -0.911109118780E+02 -0.94321E-03 -0.35809E-04 688 0.938E-02 0.289E-02
DAV: 17 -0.911113966601E+02 -0.48478E-03 -0.13059E-04 640 0.742E-02 0.999E-03
DAV: 18 -0.911115656618E+02 -0.16900E-03 -0.23854E-05 552 0.278E-02 0.739E-03
DAV: 19 -0.911116487596E+02 -0.83098E-04 -0.18105E-05 496 0.240E-02 0.256E-03
DAV: 20 -0.911116820306E+02 -0.33271E-04 -0.33569E-06 485 0.106E-02 0.168E-03
DAV: 21 -0.911116963204E+02 -0.14290E-04 -0.19998E-06 421 0.602E-03 0.105E-03
DAV: 22 -0.911117030980E+02 -0.67776E-05 -0.76057E-07 446 0.377E-03
1 F= -.91111703E+02 E0= -.91116669E+02 d E =0.148974E-01