iterations/neb0_image08_iter96_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 0.375246242396E+03 0.37525E+03 -0.14279E+04 624 0.799E+02
DAV: 2 0.351443929342E+01 -0.37173E+03 -0.35858E+03 869 0.196E+02
DAV: 3 -0.967297682291E+02 -0.10024E+03 -0.99902E+02 688 0.117E+02
DAV: 4 -0.101116772391E+03 -0.43870E+01 -0.43767E+01 696 0.275E+01
DAV: 5 -0.101204002467E+03 -0.87230E-01 -0.87193E-01 736 0.347E+00 0.226E+01
DAV: 6 -0.925966743583E+02 0.86073E+01 -0.30769E+01 693 0.301E+01 0.119E+01
DAV: 7 -0.917302329732E+02 0.86644E+00 -0.16809E+00 728 0.614E+00 0.480E+00
DAV: 8 -0.913503561549E+02 0.37988E+00 -0.56160E-01 704 0.404E+00 0.162E+00
DAV: 9 -0.912683066307E+02 0.82050E-01 -0.12936E-01 712 0.156E+00 0.426E-01
DAV: 10 -0.912590511115E+02 0.92555E-02 -0.46358E-02 728 0.112E+00 0.306E-01
DAV: 11 -0.912637041699E+02 -0.46531E-02 -0.13641E-02 624 0.603E-01 0.156E-01
DAV: 12 -0.912665505018E+02 -0.28463E-02 -0.29452E-03 615 0.250E-01 0.118E-01
DAV: 13 -0.912701428443E+02 -0.35923E-02 -0.15113E-03 661 0.219E-01 0.468E-02
DAV: 14 -0.912732984666E+02 -0.31556E-02 -0.68957E-04 656 0.145E-01 0.363E-02
DAV: 15 -0.912750870301E+02 -0.17886E-02 -0.18475E-04 696 0.778E-02 0.405E-02
DAV: 16 -0.912763977662E+02 -0.13107E-02 -0.36168E-04 669 0.957E-02 0.169E-02
DAV: 17 -0.912768285273E+02 -0.43076E-03 -0.60288E-05 656 0.522E-02 0.147E-02
DAV: 18 -0.912770790379E+02 -0.25051E-03 -0.43237E-05 594 0.316E-02 0.117E-02
DAV: 19 -0.912771600503E+02 -0.81012E-04 -0.10877E-05 448 0.203E-02 0.524E-03
DAV: 20 -0.912771900291E+02 -0.29979E-04 -0.95959E-06 488 0.195E-02 0.200E-03
DAV: 21 -0.912772171691E+02 -0.27140E-04 -0.42641E-06 404 0.925E-03 0.282E-03
DAV: 22 -0.912772217133E+02 -0.45442E-05 -0.73220E-07 488 0.489E-03
1 F= -.91277222E+02 E0= -.91282122E+02 d E =0.146998E-01