./iterations/neb0_image03_iter35_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 0.369095539977E+03 0.36910E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.339667084416E+01 -0.36570E+03 -0.35303E+03 853 0.195E+02
DAV: 3 -0.954658037652E+02 -0.98862E+02 -0.98537E+02 664 0.116E+02
DAV: 4 -0.100005862902E+03 -0.45401E+01 -0.45308E+01 720 0.287E+01
DAV: 5 -0.100092752945E+03 -0.86890E-01 -0.86843E-01 736 0.359E+00 0.224E+01
DAV: 6 -0.914403390411E+02 0.86524E+01 -0.30382E+01 688 0.297E+01 0.117E+01
DAV: 7 -0.905675613008E+02 0.87278E+00 -0.18097E+00 704 0.636E+00 0.481E+00
DAV: 8 -0.901646483607E+02 0.40291E+00 -0.55971E-01 696 0.426E+00 0.167E+00
DAV: 9 -0.900697916397E+02 0.94857E-01 -0.14263E-01 704 0.169E+00 0.448E-01
DAV: 10 -0.900613261175E+02 0.84655E-02 -0.44203E-02 712 0.123E+00 0.332E-01
DAV: 11 -0.900642358080E+02 -0.29097E-02 -0.65610E-03 608 0.518E-01 0.138E-01
DAV: 12 -0.900674493538E+02 -0.32135E-02 -0.70191E-03 626 0.393E-01 0.134E-01
DAV: 13 -0.900707349802E+02 -0.32856E-02 -0.17949E-03 848 0.356E-01 0.722E-02
DAV: 14 -0.900742209184E+02 -0.34859E-02 -0.11299E-03 631 0.153E-01 0.585E-02
DAV: 15 -0.900770157751E+02 -0.27949E-02 -0.38299E-04 709 0.111E-01 0.321E-02
DAV: 16 -0.900787338450E+02 -0.17181E-02 -0.46197E-04 656 0.117E-01 0.312E-02
DAV: 17 -0.900793151673E+02 -0.58132E-03 -0.61346E-05 744 0.553E-02 0.192E-02
DAV: 18 -0.900798739691E+02 -0.55880E-03 -0.15686E-04 642 0.675E-02 0.126E-02
DAV: 19 -0.900799647343E+02 -0.90765E-04 -0.77937E-06 485 0.223E-02 0.104E-02
DAV: 20 -0.900800263562E+02 -0.61622E-04 -0.29214E-05 642 0.351E-02 0.538E-03
DAV: 21 -0.900800436273E+02 -0.17271E-04 -0.35867E-06 504 0.159E-02 0.259E-03
DAV: 22 -0.900800775481E+02 -0.33921E-04 -0.45394E-06 423 0.101E-02 0.965E-04
DAV: 23 -0.900800907464E+02 -0.13198E-04 -0.21185E-06 461 0.655E-03 0.178E-03
DAV: 24 -0.900800936288E+02 -0.28824E-05 -0.39155E-07 477 0.458E-03
1 F= -.90080094E+02 E0= -.90092208E+02 d E =0.363425E-01