./iterations/neb0_image05_iter48_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 0.373204446975E+03 0.37320E+03 -0.14312E+04 632 0.799E+02
DAV: 2 0.430080462419E+01 -0.36890E+03 -0.35705E+03 877 0.195E+02
DAV: 3 -0.936884979703E+02 -0.97989E+02 -0.97637E+02 637 0.116E+02
DAV: 4 -0.984157091316E+02 -0.47272E+01 -0.47132E+01 720 0.299E+01
DAV: 5 -0.985163676544E+02 -0.10066E+00 -0.10062E+00 712 0.390E+00 0.219E+01
DAV: 6 -0.902434016797E+02 0.82730E+01 -0.28965E+01 693 0.293E+01 0.113E+01
DAV: 7 -0.893964225959E+02 0.84698E+00 -0.17228E+00 720 0.655E+00 0.466E+00
DAV: 8 -0.890181552953E+02 0.37827E+00 -0.59162E-01 696 0.425E+00 0.160E+00
DAV: 9 -0.889304474060E+02 0.87708E-01 -0.12964E-01 712 0.160E+00 0.439E-01
DAV: 10 -0.889198566437E+02 0.10591E-01 -0.31788E-02 728 0.949E-01 0.297E-01
DAV: 11 -0.889220799431E+02 -0.22233E-02 -0.98433E-03 613 0.608E-01 0.133E-01
DAV: 12 -0.889241495762E+02 -0.20696E-02 -0.21588E-03 688 0.269E-01 0.980E-02
DAV: 13 -0.889294003460E+02 -0.52508E-02 -0.26931E-03 633 0.304E-01 0.860E-02
DAV: 14 -0.889315813431E+02 -0.21810E-02 -0.63856E-04 728 0.175E-01 0.414E-02
DAV: 15 -0.889345294554E+02 -0.29481E-02 -0.10467E-03 639 0.182E-01 0.478E-02
DAV: 16 -0.889357125478E+02 -0.11831E-02 -0.27124E-04 933 0.123E-01 0.202E-02
DAV: 17 -0.889367863929E+02 -0.10738E-02 -0.23034E-04 668 0.865E-02 0.205E-02
DAV: 18 -0.889373027586E+02 -0.51637E-03 -0.72029E-05 669 0.465E-02 0.150E-02
DAV: 19 -0.889374639807E+02 -0.16122E-03 -0.55178E-05 677 0.461E-02 0.646E-03
DAV: 20 -0.889375810368E+02 -0.11706E-03 -0.12047E-05 436 0.213E-02 0.427E-03
DAV: 21 -0.889376344897E+02 -0.53453E-04 -0.73767E-06 474 0.107E-02 0.300E-03
DAV: 22 -0.889376496456E+02 -0.15156E-04 -0.25384E-06 496 0.871E-03 0.133E-03
DAV: 23 -0.889376552956E+02 -0.56500E-05 -0.14665E-06 433 0.615E-03
1 F= -.88937655E+02 E0= -.88941531E+02 d E =0.116271E-01