./iterations/neb0_image05_iter60_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 0.373064317606E+03 0.37306E+03 -0.14309E+04 632 0.799E+02
DAV: 2 0.451927197042E+01 -0.36855E+03 -0.35642E+03 866 0.195E+02
DAV: 3 -0.937113336075E+02 -0.98231E+02 -0.97874E+02 640 0.116E+02
DAV: 4 -0.984804989397E+02 -0.47692E+01 -0.47552E+01 728 0.300E+01
DAV: 5 -0.985828722858E+02 -0.10237E+00 -0.10233E+00 720 0.392E+00 0.218E+01
DAV: 6 -0.903564064585E+02 0.82265E+01 -0.28735E+01 672 0.290E+01 0.112E+01
DAV: 7 -0.895115472660E+02 0.84486E+00 -0.17457E+00 728 0.653E+00 0.466E+00
DAV: 8 -0.891322035347E+02 0.37934E+00 -0.60298E-01 696 0.432E+00 0.155E+00
DAV: 9 -0.890473732796E+02 0.84830E-01 -0.12434E-01 712 0.158E+00 0.432E-01
DAV: 10 -0.890363151510E+02 0.11058E-01 -0.42380E-02 733 0.109E+00 0.317E-01
DAV: 11 -0.890386325784E+02 -0.23174E-02 -0.93972E-03 624 0.538E-01 0.123E-01
DAV: 12 -0.890409753081E+02 -0.23427E-02 -0.25169E-03 690 0.270E-01 0.101E-01
DAV: 13 -0.890461882351E+02 -0.52129E-02 -0.15249E-03 647 0.255E-01 0.677E-02
DAV: 14 -0.890490589934E+02 -0.28708E-02 -0.79636E-04 682 0.139E-01 0.350E-02
DAV: 15 -0.890518067635E+02 -0.27478E-02 -0.44935E-04 669 0.114E-01 0.256E-02
DAV: 16 -0.890529717690E+02 -0.11650E-02 -0.87493E-05 725 0.581E-02 0.125E-02
DAV: 17 -0.890539868839E+02 -0.10151E-02 -0.17737E-04 655 0.656E-02 0.167E-02
DAV: 18 -0.890541746397E+02 -0.18776E-03 -0.52751E-05 736 0.571E-02 0.918E-03
DAV: 19 -0.890542201837E+02 -0.45544E-04 -0.14301E-05 496 0.246E-02 0.601E-03
DAV: 20 -0.890543440775E+02 -0.12389E-03 -0.27984E-05 491 0.284E-02 0.596E-03
DAV: 21 -0.890543700353E+02 -0.25958E-04 -0.35097E-06 504 0.141E-02 0.375E-03
DAV: 22 -0.890543818387E+02 -0.11803E-04 -0.62996E-06 437 0.148E-02 0.212E-03
DAV: 23 -0.890543853690E+02 -0.35304E-05 -0.98413E-07 504 0.699E-03
1 F= -.89054385E+02 E0= -.89058258E+02 d E =0.116172E-01