./iterations/neb0_image04_iter107_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 0.370313225753E+03 0.37031E+03 -0.14314E+04 632 0.799E+02
DAV: 2 0.396218085624E+01 -0.36635E+03 -0.35439E+03 858 0.195E+02
DAV: 3 -0.953498564027E+02 -0.99312E+02 -0.98992E+02 672 0.116E+02
DAV: 4 -0.998599367328E+02 -0.45101E+01 -0.44994E+01 704 0.285E+01
DAV: 5 -0.999479857559E+02 -0.88049E-01 -0.88009E-01 720 0.360E+00 0.222E+01
DAV: 6 -0.914281708701E+02 0.85198E+01 -0.29918E+01 693 0.295E+01 0.116E+01
DAV: 7 -0.905685055070E+02 0.85967E+00 -0.17452E+00 720 0.628E+00 0.480E+00
DAV: 8 -0.901692604880E+02 0.39925E+00 -0.56078E-01 712 0.422E+00 0.164E+00
DAV: 9 -0.900744021836E+02 0.94858E-01 -0.13224E-01 720 0.180E+00 0.445E-01
DAV: 10 -0.900642273300E+02 0.10175E-01 -0.60552E-02 709 0.146E+00 0.360E-01
DAV: 11 -0.900681189780E+02 -0.38916E-02 -0.16002E-02 624 0.762E-01 0.149E-01
DAV: 12 -0.900695443607E+02 -0.14254E-02 -0.56510E-03 628 0.353E-01 0.149E-01
DAV: 13 -0.900725530137E+02 -0.30087E-02 -0.29351E-03 845 0.422E-01 0.793E-02
DAV: 14 -0.900768712246E+02 -0.43182E-02 -0.16385E-03 647 0.215E-01 0.731E-02
DAV: 15 -0.900787480925E+02 -0.18769E-02 -0.24811E-04 760 0.109E-01 0.459E-02
DAV: 16 -0.900808482690E+02 -0.21002E-02 -0.92456E-04 655 0.178E-01 0.384E-02
DAV: 17 -0.900817305773E+02 -0.88231E-03 -0.25104E-04 912 0.114E-01 0.147E-02
DAV: 18 -0.900821950981E+02 -0.46452E-03 -0.71539E-05 636 0.404E-02 0.994E-03
DAV: 19 -0.900823463483E+02 -0.15125E-03 -0.18796E-05 520 0.217E-02 0.365E-03
DAV: 20 -0.900824481966E+02 -0.10185E-03 -0.13816E-05 430 0.158E-02 0.346E-03
DAV: 21 -0.900824642287E+02 -0.16032E-04 -0.24946E-06 504 0.725E-03 0.353E-03
DAV: 22 -0.900824757770E+02 -0.11548E-04 -0.22647E-06 401 0.820E-03 0.165E-03
DAV: 23 -0.900824787856E+02 -0.30086E-05 -0.91660E-07 488 0.587E-03
1 F= -.90082479E+02 E0= -.90086530E+02 d E =0.121533E-01