./iterations/neb0_image05_iter69_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 0.373195419568E+03 0.37320E+03 -0.14309E+04 632 0.799E+02
DAV: 2 0.398898278364E+01 -0.36921E+03 -0.35726E+03 877 0.195E+02
DAV: 3 -0.938396350641E+02 -0.97829E+02 -0.97475E+02 640 0.116E+02
DAV: 4 -0.985333050086E+02 -0.46937E+01 -0.46813E+01 704 0.298E+01
DAV: 5 -0.986353275202E+02 -0.10202E+00 -0.10198E+00 736 0.390E+00 0.218E+01
DAV: 6 -0.904044736229E+02 0.82309E+01 -0.28729E+01 685 0.288E+01 0.112E+01
DAV: 7 -0.895639530272E+02 0.84052E+00 -0.17609E+00 728 0.654E+00 0.467E+00
DAV: 8 -0.891849046552E+02 0.37905E+00 -0.59585E-01 696 0.430E+00 0.154E+00
DAV: 9 -0.891022945230E+02 0.82610E-01 -0.12293E-01 720 0.158E+00 0.429E-01
DAV: 10 -0.890914728994E+02 0.10822E-01 -0.48337E-02 717 0.117E+00 0.331E-01
DAV: 11 -0.890938750438E+02 -0.24021E-02 -0.10567E-02 640 0.578E-01 0.117E-01
DAV: 12 -0.890961012819E+02 -0.22262E-02 -0.29855E-03 650 0.276E-01 0.115E-01
DAV: 13 -0.891015949317E+02 -0.54936E-02 -0.20794E-03 812 0.306E-01 0.646E-02
DAV: 14 -0.891038906370E+02 -0.22957E-02 -0.61500E-04 680 0.123E-01 0.438E-02
DAV: 15 -0.891070718670E+02 -0.31812E-02 -0.87478E-04 653 0.166E-01 0.363E-02
DAV: 16 -0.891078031729E+02 -0.73131E-03 -0.10531E-04 776 0.748E-02 0.197E-02
DAV: 17 -0.891088713052E+02 -0.10681E-02 -0.22579E-04 671 0.779E-02 0.144E-02
DAV: 18 -0.891091797037E+02 -0.30840E-03 -0.31961E-05 597 0.384E-02 0.837E-03
DAV: 19 -0.891093480817E+02 -0.16838E-03 -0.30312E-05 562 0.280E-02 0.453E-03
DAV: 20 -0.891094256718E+02 -0.77590E-04 -0.95862E-06 450 0.154E-02 0.335E-03
DAV: 21 -0.891094458630E+02 -0.20191E-04 -0.28454E-06 488 0.766E-03 0.267E-03
DAV: 22 -0.891094549204E+02 -0.90574E-05 -0.32691E-06 414 0.113E-02
1 F= -.89109455E+02 E0= -.89113327E+02 d E =0.116169E-01