./iterations/neb0_image04_iter63_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 0.370791223611E+03 0.37079E+03 -0.14314E+04 632 0.799E+02
DAV: 2 0.443328279159E+01 -0.36636E+03 -0.35382E+03 853 0.195E+02
DAV: 3 -0.952883365077E+02 -0.99722E+02 -0.99394E+02 682 0.116E+02
DAV: 4 -0.997100339303E+02 -0.44217E+01 -0.44117E+01 712 0.278E+01
DAV: 5 -0.997957363089E+02 -0.85702E-01 -0.85661E-01 720 0.348E+00 0.222E+01
DAV: 6 -0.913015695671E+02 0.84942E+01 -0.30024E+01 674 0.295E+01 0.116E+01
DAV: 7 -0.904567675542E+02 0.84480E+00 -0.17580E+00 712 0.629E+00 0.480E+00
DAV: 8 -0.900589762359E+02 0.39779E+00 -0.55476E-01 704 0.426E+00 0.166E+00
DAV: 9 -0.899634824559E+02 0.95494E-01 -0.13634E-01 712 0.184E+00 0.447E-01
DAV: 10 -0.899529827639E+02 0.10500E-01 -0.56690E-02 720 0.141E+00 0.350E-01
DAV: 11 -0.899567033435E+02 -0.37206E-02 -0.14840E-02 629 0.696E-01 0.149E-01
DAV: 12 -0.899580588568E+02 -0.13555E-02 -0.43757E-03 650 0.316E-01 0.134E-01
DAV: 13 -0.899618937376E+02 -0.38349E-02 -0.32442E-03 845 0.438E-01 0.774E-02
DAV: 14 -0.899654468405E+02 -0.35531E-02 -0.13078E-03 653 0.185E-01 0.661E-02
DAV: 15 -0.899672178138E+02 -0.17710E-02 -0.34208E-04 824 0.127E-01 0.311E-02
DAV: 16 -0.899691622146E+02 -0.19444E-02 -0.44580E-04 658 0.114E-01 0.271E-02
DAV: 17 -0.899701537737E+02 -0.99156E-03 -0.82291E-05 610 0.426E-02 0.238E-02
DAV: 18 -0.899705777167E+02 -0.42394E-03 -0.12103E-04 653 0.650E-02 0.920E-03
DAV: 19 -0.899706915017E+02 -0.11378E-03 -0.10845E-05 488 0.216E-02 0.597E-03
DAV: 20 -0.899707773876E+02 -0.85886E-04 -0.13926E-05 434 0.182E-02 0.346E-03
DAV: 21 -0.899708152319E+02 -0.37844E-04 -0.44190E-06 461 0.845E-03 0.294E-03
DAV: 22 -0.899708285810E+02 -0.13349E-04 -0.24043E-06 456 0.787E-03 0.104E-03
DAV: 23 -0.899708321274E+02 -0.35464E-05 -0.11894E-06 458 0.589E-03
1 F= -.89970832E+02 E0= -.89975754E+02 d E =0.147643E-01