iterations/neb0_image06_iter277_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 0.373625181200E+03 0.37363E+03 -0.14316E+04 632 0.799E+02
DAV: 2 0.571341954308E+01 -0.36791E+03 -0.35535E+03 853 0.194E+02
DAV: 3 -0.946407599257E+02 -0.10035E+03 -0.99935E+02 696 0.116E+02
DAV: 4 -0.991593019462E+02 -0.45185E+01 -0.45018E+01 720 0.277E+01
DAV: 5 -0.992508624471E+02 -0.91561E-01 -0.91510E-01 720 0.351E+00 0.222E+01
DAV: 6 -0.908724783848E+02 0.83784E+01 -0.29650E+01 693 0.302E+01 0.116E+01
DAV: 7 -0.900546183163E+02 0.81786E+00 -0.16589E+00 720 0.632E+00 0.481E+00
DAV: 8 -0.896728776261E+02 0.38174E+00 -0.58778E-01 704 0.423E+00 0.160E+00
DAV: 9 -0.895862505534E+02 0.86627E-01 -0.12265E-01 704 0.162E+00 0.438E-01
DAV: 10 -0.895761795908E+02 0.10071E-01 -0.38377E-02 720 0.956E-01 0.302E-01
DAV: 11 -0.895802773829E+02 -0.40978E-02 -0.12658E-02 608 0.637E-01 0.182E-01
DAV: 12 -0.895812269804E+02 -0.94960E-03 -0.35192E-03 672 0.363E-01 0.988E-02
DAV: 13 -0.895859123109E+02 -0.46853E-02 -0.31797E-03 628 0.303E-01 0.890E-02
DAV: 14 -0.895878443219E+02 -0.19320E-02 -0.59267E-04 816 0.190E-01 0.392E-02
DAV: 15 -0.895911595578E+02 -0.33152E-02 -0.80226E-04 633 0.149E-01 0.382E-02
DAV: 16 -0.895929433222E+02 -0.17838E-02 -0.23955E-04 800 0.104E-01 0.128E-02
DAV: 17 -0.895938646899E+02 -0.92137E-03 -0.18110E-04 677 0.682E-02 0.210E-02
DAV: 18 -0.895941752819E+02 -0.31059E-03 -0.36423E-05 584 0.399E-02 0.115E-02
DAV: 19 -0.895942823565E+02 -0.10707E-03 -0.28145E-05 592 0.308E-02 0.350E-03
DAV: 20 -0.895943786693E+02 -0.96313E-04 -0.98377E-06 406 0.146E-02 0.199E-03
DAV: 21 -0.895944044425E+02 -0.25773E-04 -0.31726E-06 480 0.714E-03 0.245E-03
DAV: 22 -0.895944161463E+02 -0.11704E-04 -0.22343E-06 412 0.867E-03 0.253E-03
DAV: 23 -0.895944181237E+02 -0.19774E-05 -0.94184E-07 496 0.643E-03
1 F= -.89594418E+02 E0= -.89599100E+02 d E =0.140455E-01