./iterations/neb0_image07_iter71_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 0.378630902844E+03 0.37863E+03 -0.14287E+04 624 0.799E+02
DAV: 2 0.440731503609E+01 -0.37422E+03 -0.36094E+03 869 0.196E+02
DAV: 3 -0.964391367540E+02 -0.10085E+03 -0.10052E+03 672 0.117E+02
DAV: 4 -0.100920372714E+03 -0.44812E+01 -0.44707E+01 704 0.285E+01
DAV: 5 -0.101008283394E+03 -0.87911E-01 -0.87873E-01 728 0.358E+00 0.228E+01
DAV: 6 -0.923504036529E+02 0.86579E+01 -0.30684E+01 706 0.303E+01 0.120E+01
DAV: 7 -0.914638833028E+02 0.88652E+00 -0.16747E+00 736 0.614E+00 0.483E+00
DAV: 8 -0.910782610481E+02 0.38562E+00 -0.56154E-01 696 0.407E+00 0.163E+00
DAV: 9 -0.909933368142E+02 0.84924E-01 -0.13384E-01 712 0.157E+00 0.428E-01
DAV: 10 -0.909835031652E+02 0.98336E-02 -0.49552E-02 720 0.115E+00 0.315E-01
DAV: 11 -0.909880240586E+02 -0.45209E-02 -0.13340E-02 613 0.616E-01 0.144E-01
DAV: 12 -0.909910362908E+02 -0.30122E-02 -0.36387E-03 616 0.274E-01 0.152E-01
DAV: 13 -0.909949785159E+02 -0.39422E-02 -0.34392E-03 722 0.355E-01 0.617E-02
DAV: 14 -0.909972508600E+02 -0.22723E-02 -0.52139E-04 664 0.116E-01 0.582E-02
DAV: 15 -0.910001700455E+02 -0.29192E-02 -0.41827E-04 639 0.963E-02 0.331E-02
DAV: 16 -0.910012365869E+02 -0.10665E-02 -0.34159E-04 677 0.923E-02 0.272E-02
DAV: 17 -0.910018443271E+02 -0.60774E-03 -0.89575E-05 653 0.522E-02 0.124E-02
DAV: 18 -0.910020378527E+02 -0.19353E-03 -0.25979E-05 568 0.235E-02 0.645E-03
DAV: 19 -0.910020907969E+02 -0.52944E-04 -0.63510E-06 496 0.151E-02 0.210E-03
DAV: 20 -0.910021433854E+02 -0.52588E-04 -0.60957E-06 420 0.110E-02 0.233E-03
DAV: 21 -0.910021581094E+02 -0.14724E-04 -0.17462E-06 493 0.586E-03 0.193E-03
DAV: 22 -0.910021645885E+02 -0.64792E-05 -0.16011E-06 401 0.790E-03
1 F= -.91002165E+02 E0= -.91007063E+02 d E =0.146947E-01