./iterations/neb0_image03_iter40_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 0.369279167458E+03 0.36928E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.428642987501E+01 -0.36499E+03 -0.35185E+03 845 0.195E+02
DAV: 3 -0.952722034777E+02 -0.99559E+02 -0.99221E+02 656 0.116E+02
DAV: 4 -0.100025146984E+03 -0.47529E+01 -0.47430E+01 712 0.294E+01
DAV: 5 -0.100117273343E+03 -0.92126E-01 -0.92084E-01 728 0.369E+00 0.224E+01
DAV: 6 -0.914765939448E+02 0.86407E+01 -0.30412E+01 685 0.297E+01 0.117E+01
DAV: 7 -0.906098608184E+02 0.86673E+00 -0.18247E+00 696 0.635E+00 0.481E+00
DAV: 8 -0.902093528302E+02 0.40051E+00 -0.55206E-01 696 0.421E+00 0.168E+00
DAV: 9 -0.901143714070E+02 0.94981E-01 -0.14091E-01 696 0.168E+00 0.441E-01
DAV: 10 -0.901063219477E+02 0.80495E-02 -0.43840E-02 712 0.119E+00 0.333E-01
DAV: 11 -0.901094420274E+02 -0.31201E-02 -0.71021E-03 605 0.569E-01 0.121E-01
DAV: 12 -0.901118538138E+02 -0.24118E-02 -0.49961E-03 634 0.332E-01 0.121E-01
DAV: 13 -0.901154730041E+02 -0.36192E-02 -0.13415E-03 840 0.309E-01 0.732E-02
DAV: 14 -0.901190982928E+02 -0.36253E-02 -0.95647E-04 647 0.143E-01 0.506E-02
DAV: 15 -0.901218153224E+02 -0.27170E-02 -0.33933E-04 656 0.112E-01 0.262E-02
DAV: 16 -0.901233001654E+02 -0.14848E-02 -0.23764E-04 672 0.767E-02 0.254E-02
DAV: 17 -0.901238902758E+02 -0.59011E-03 -0.88365E-05 744 0.710E-02 0.137E-02
DAV: 18 -0.901243845993E+02 -0.49432E-03 -0.90505E-05 653 0.437E-02 0.123E-02
DAV: 19 -0.901245175098E+02 -0.13291E-03 -0.16823E-05 541 0.362E-02 0.534E-03
DAV: 20 -0.901246177016E+02 -0.10019E-03 -0.23493E-05 509 0.259E-02 0.667E-03
DAV: 21 -0.901246542715E+02 -0.36570E-04 -0.38949E-06 469 0.144E-02 0.379E-03
DAV: 22 -0.901246773155E+02 -0.23044E-04 -0.98804E-06 429 0.194E-02 0.334E-03
DAV: 23 -0.901246842534E+02 -0.69379E-05 -0.16902E-06 458 0.114E-02
1 F= -.90124684E+02 E0= -.90137345E+02 d E =0.379832E-01