./iterations/neb0_image06_iter227_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 0.370332292560E+03 0.37033E+03 -0.14349E+04 640 0.799E+02
DAV: 2 0.358908671851E+01 -0.36674E+03 -0.35472E+03 869 0.193E+02
DAV: 3 -0.954960876817E+02 -0.99085E+02 -0.98734E+02 656 0.116E+02
DAV: 4 -0.100270561941E+03 -0.47745E+01 -0.47598E+01 728 0.290E+01
DAV: 5 -0.100369772868E+03 -0.99211E-01 -0.99163E-01 733 0.373E+00 0.225E+01
DAV: 6 -0.918137079188E+02 0.85561E+01 -0.30325E+01 704 0.302E+01 0.118E+01
DAV: 7 -0.909839565133E+02 0.82975E+00 -0.17550E+00 704 0.630E+00 0.481E+00
DAV: 8 -0.906072145048E+02 0.37674E+00 -0.56318E-01 696 0.418E+00 0.166E+00
DAV: 9 -0.905184339265E+02 0.88781E-01 -0.12897E-01 720 0.160E+00 0.429E-01
DAV: 10 -0.905082759787E+02 0.10158E-01 -0.36137E-02 744 0.938E-01 0.286E-01
DAV: 11 -0.905124115124E+02 -0.41355E-02 -0.98105E-03 599 0.514E-01 0.152E-01
DAV: 12 -0.905148744280E+02 -0.24629E-02 -0.28732E-03 632 0.306E-01 0.824E-02
DAV: 13 -0.905187565229E+02 -0.38821E-02 -0.16578E-03 625 0.187E-01 0.691E-02
DAV: 14 -0.905222054297E+02 -0.34489E-02 -0.10479E-03 712 0.232E-01 0.392E-02
DAV: 15 -0.905239955699E+02 -0.17901E-02 -0.29191E-04 714 0.101E-01 0.367E-02
DAV: 16 -0.905255981929E+02 -0.16026E-02 -0.37075E-04 695 0.112E-01 0.175E-02
DAV: 17 -0.905263066946E+02 -0.70850E-03 -0.10071E-04 717 0.551E-02 0.132E-02
DAV: 18 -0.905265307249E+02 -0.22403E-03 -0.20721E-05 544 0.187E-02 0.809E-03
DAV: 19 -0.905266630866E+02 -0.13236E-03 -0.24096E-05 490 0.260E-02 0.237E-03
DAV: 20 -0.905266892194E+02 -0.26133E-04 -0.44609E-06 496 0.102E-02 0.299E-03
DAV: 21 -0.905267001650E+02 -0.10946E-04 -0.16533E-06 404 0.606E-03 0.160E-03
DAV: 22 -0.905267020176E+02 -0.18527E-05 -0.10595E-06 472 0.572E-03
1 F= -.90526702E+02 E0= -.90531587E+02 d E =0.146538E-01