iterations/neb0_image01_iter77_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 0.366693514474E+03 0.36669E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.343833775207E+01 -0.36326E+03 -0.34985E+03 839 0.195E+02
DAV: 3 -0.957873272161E+02 -0.99226E+02 -0.98886E+02 688 0.116E+02
DAV: 4 -0.100203112473E+03 -0.44158E+01 -0.44065E+01 693 0.278E+01
DAV: 5 -0.100290317079E+03 -0.87205E-01 -0.87154E-01 744 0.349E+00 0.222E+01
DAV: 6 -0.916771846567E+02 0.86131E+01 -0.31183E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908650155789E+02 0.81217E+00 -0.18158E+00 720 0.635E+00 0.484E+00
DAV: 8 -0.904839869445E+02 0.38103E+00 -0.55566E-01 712 0.425E+00 0.168E+00
DAV: 9 -0.903989196232E+02 0.85067E-01 -0.13714E-01 696 0.164E+00 0.429E-01
DAV: 10 -0.903933604377E+02 0.55592E-02 -0.46220E-02 736 0.127E+00 0.317E-01
DAV: 11 -0.903970838081E+02 -0.37234E-02 -0.66932E-03 616 0.474E-01 0.149E-01
DAV: 12 -0.904006259756E+02 -0.35422E-02 -0.71585E-03 616 0.493E-01 0.127E-01
DAV: 13 -0.904034482460E+02 -0.28223E-02 -0.12969E-03 808 0.302E-01 0.783E-02
DAV: 14 -0.904063220456E+02 -0.28738E-02 -0.15793E-03 634 0.191E-01 0.604E-02
DAV: 15 -0.904085382361E+02 -0.22162E-02 -0.44174E-04 720 0.134E-01 0.455E-02
DAV: 16 -0.904097253132E+02 -0.11871E-02 -0.66531E-04 661 0.147E-01 0.345E-02
DAV: 17 -0.904106311976E+02 -0.90588E-03 -0.19502E-04 839 0.953E-02 0.197E-02
DAV: 18 -0.904107899702E+02 -0.15877E-03 -0.37188E-05 712 0.307E-02 0.147E-02
DAV: 19 -0.904110465322E+02 -0.25656E-03 -0.54790E-05 633 0.381E-02 0.373E-03
DAV: 20 -0.904110855080E+02 -0.38976E-04 -0.50503E-06 480 0.125E-02 0.471E-03
DAV: 21 -0.904111282581E+02 -0.42750E-04 -0.45408E-06 414 0.108E-02 0.330E-03
DAV: 22 -0.904111459596E+02 -0.17702E-04 -0.39518E-06 477 0.943E-03 0.211E-03
DAV: 23 -0.904111483631E+02 -0.24034E-05 -0.13636E-06 520 0.680E-03
1 F= -.90411148E+02 E0= -.90416274E+02 d E =0.153772E-01