iterations/neb0_image02_iter284_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 0.365427484756E+03 0.36543E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.150736806567E+01 -0.36392E+03 -0.35221E+03 861 0.195E+02
DAV: 3 -0.956016389033E+02 -0.97109E+02 -0.96775E+02 640 0.116E+02
DAV: 4 -0.100241673695E+03 -0.46400E+01 -0.46291E+01 712 0.294E+01
DAV: 5 -0.100333941145E+03 -0.92267E-01 -0.92233E-01 728 0.372E+00 0.222E+01
DAV: 6 -0.916664303354E+02 0.86675E+01 -0.30939E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908465126152E+02 0.81992E+00 -0.18182E+00 712 0.635E+00 0.485E+00
DAV: 8 -0.904686681748E+02 0.37784E+00 -0.54562E-01 704 0.428E+00 0.171E+00
DAV: 9 -0.903847350901E+02 0.83933E-01 -0.12558E-01 720 0.191E+00 0.436E-01
DAV: 10 -0.903806309341E+02 0.41042E-02 -0.43311E-02 709 0.113E+00 0.333E-01
DAV: 11 -0.903843355752E+02 -0.37046E-02 -0.80951E-03 605 0.721E-01 0.125E-01
DAV: 12 -0.903868117964E+02 -0.24762E-02 -0.56979E-03 621 0.401E-01 0.120E-01
DAV: 13 -0.903900911913E+02 -0.32794E-02 -0.23185E-03 725 0.309E-01 0.793E-02
DAV: 14 -0.903935668775E+02 -0.34757E-02 -0.13295E-03 631 0.179E-01 0.690E-02
DAV: 15 -0.903948637366E+02 -0.12969E-02 -0.28182E-04 816 0.129E-01 0.322E-02
DAV: 16 -0.903966628175E+02 -0.17991E-02 -0.61107E-04 709 0.159E-01 0.387E-02
DAV: 17 -0.903971396504E+02 -0.47683E-03 -0.19257E-04 856 0.107E-01 0.226E-02
DAV: 18 -0.903972732594E+02 -0.13361E-03 -0.53499E-05 720 0.408E-02 0.141E-02
DAV: 19 -0.903976002098E+02 -0.32695E-03 -0.56637E-05 630 0.430E-02 0.637E-03
DAV: 20 -0.903976984510E+02 -0.98241E-04 -0.10734E-05 480 0.195E-02 0.561E-03
DAV: 21 -0.903977546588E+02 -0.56208E-04 -0.69243E-06 442 0.130E-02 0.264E-03
DAV: 22 -0.903977841481E+02 -0.29489E-04 -0.69617E-06 450 0.142E-02 0.238E-03
DAV: 23 -0.903977902056E+02 -0.60575E-05 -0.14866E-06 496 0.650E-03
1 F= -.90397790E+02 E0= -.90406297E+02 d E =0.255194E-01