./iterations/neb0_image05_iter220_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 0.369564736503E+03 0.36956E+03 -0.14314E+04 624 0.799E+02
DAV: 2 0.410061527968E+01 -0.36546E+03 -0.35104E+03 845 0.196E+02
DAV: 3 -0.957326238618E+02 -0.99833E+02 -0.99485E+02 677 0.117E+02
DAV: 4 -0.100190143037E+03 -0.44575E+01 -0.44473E+01 696 0.282E+01
DAV: 5 -0.100275986275E+03 -0.85843E-01 -0.85806E-01 728 0.350E+00 0.223E+01
DAV: 6 -0.916198886336E+02 0.86561E+01 -0.31152E+01 696 0.300E+01 0.117E+01
DAV: 7 -0.907749218530E+02 0.84497E+00 -0.17464E+00 720 0.622E+00 0.483E+00
DAV: 8 -0.903941370105E+02 0.38078E+00 -0.55116E-01 728 0.424E+00 0.163E+00
DAV: 9 -0.903116370338E+02 0.82500E-01 -0.13103E-01 720 0.166E+00 0.433E-01
DAV: 10 -0.903051200328E+02 0.65170E-02 -0.47663E-02 760 0.128E+00 0.325E-01
DAV: 11 -0.903083248332E+02 -0.32048E-02 -0.77003E-03 616 0.573E-01 0.132E-01
DAV: 12 -0.903109890026E+02 -0.26642E-02 -0.70381E-03 613 0.469E-01 0.128E-01
DAV: 13 -0.903137624822E+02 -0.27735E-02 -0.17423E-03 864 0.319E-01 0.828E-02
DAV: 14 -0.903170696871E+02 -0.33072E-02 -0.15270E-03 639 0.172E-01 0.638E-02
DAV: 15 -0.903193623851E+02 -0.22927E-02 -0.38726E-04 696 0.118E-01 0.454E-02
DAV: 16 -0.903212970802E+02 -0.19347E-02 -0.10573E-03 666 0.188E-01 0.451E-02
DAV: 17 -0.903219552399E+02 -0.65816E-03 -0.15392E-04 760 0.888E-02 0.291E-02
DAV: 18 -0.903221585204E+02 -0.20328E-03 -0.65329E-05 704 0.424E-02 0.136E-02
DAV: 19 -0.903224712772E+02 -0.31276E-03 -0.87119E-05 609 0.520E-02 0.974E-03
DAV: 20 -0.903224980574E+02 -0.26780E-04 -0.87254E-06 512 0.199E-02 0.834E-03
DAV: 21 -0.903225367946E+02 -0.38737E-04 -0.91221E-06 415 0.183E-02 0.484E-03
DAV: 22 -0.903225533486E+02 -0.16554E-04 -0.66339E-06 477 0.152E-02 0.285E-03
DAV: 23 -0.903225553721E+02 -0.20235E-05 -0.27961E-06 496 0.102E-02
1 F= -.90322555E+02 E0= -.90326991E+02 d E =0.133059E-01