iterations/neb0_image08_iter17_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 0.371113139180E+03 0.37111E+03 -0.14256E+04 624 0.799E+02
DAV: 2 0.253741078103E+01 -0.36858E+03 -0.35633E+03 874 0.195E+02
DAV: 3 -0.961630700387E+02 -0.98700E+02 -0.98363E+02 672 0.116E+02
DAV: 4 -0.100612781032E+03 -0.44497E+01 -0.44377E+01 704 0.281E+01
DAV: 5 -0.100702360236E+03 -0.89579E-01 -0.89530E-01 736 0.359E+00 0.222E+01
DAV: 6 -0.921713999397E+02 0.85310E+01 -0.30771E+01 696 0.303E+01 0.116E+01
DAV: 7 -0.913604510287E+02 0.81095E+00 -0.16790E+00 720 0.632E+00 0.475E+00
DAV: 8 -0.909960502859E+02 0.36440E+00 -0.56562E-01 712 0.408E+00 0.165E+00
DAV: 9 -0.909126725640E+02 0.83378E-01 -0.12768E-01 712 0.157E+00 0.432E-01
DAV: 10 -0.909033153536E+02 0.93572E-02 -0.34199E-02 736 0.914E-01 0.279E-01
DAV: 11 -0.909080077128E+02 -0.46924E-02 -0.11874E-02 613 0.617E-01 0.175E-01
DAV: 12 -0.909093937585E+02 -0.13860E-02 -0.20330E-03 680 0.269E-01 0.104E-01
DAV: 13 -0.909143558966E+02 -0.49621E-02 -0.42708E-03 624 0.384E-01 0.905E-02
DAV: 14 -0.909151911854E+02 -0.83529E-03 -0.56572E-04 776 0.198E-01 0.532E-02
DAV: 15 -0.909179533298E+02 -0.27621E-02 -0.12851E-03 634 0.222E-01 0.462E-02
DAV: 16 -0.909193131567E+02 -0.13598E-02 -0.29378E-04 744 0.125E-01 0.267E-02
DAV: 17 -0.909204357454E+02 -0.11226E-02 -0.18580E-04 647 0.652E-02 0.827E-03
DAV: 18 -0.909209133719E+02 -0.47763E-03 -0.55043E-05 608 0.392E-02 0.110E-02
DAV: 19 -0.909210883663E+02 -0.17499E-03 -0.15191E-05 464 0.244E-02 0.711E-03
DAV: 20 -0.909211264777E+02 -0.38111E-04 -0.11375E-05 512 0.169E-02 0.352E-03
DAV: 21 -0.909211421240E+02 -0.15646E-04 -0.28789E-06 421 0.128E-02 0.198E-03
DAV: 22 -0.909211663438E+02 -0.24220E-04 -0.46183E-06 392 0.103E-02 0.230E-03
DAV: 23 -0.909211680641E+02 -0.17204E-05 -0.15148E-06 504 0.735E-03
1 F= -.90921168E+02 E0= -.90926286E+02 d E =0.153531E-01