./iterations/neb0_image05_iter155_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 0.363166128673E+03 0.36317E+03 -0.14340E+04 640 0.799E+02
DAV: 2 0.547382582674E+00 -0.36262E+03 -0.35041E+03 869 0.193E+02
DAV: 3 -0.954194316771E+02 -0.95967E+02 -0.95642E+02 672 0.115E+02
DAV: 4 -0.996601387478E+02 -0.42407E+01 -0.42310E+01 712 0.275E+01
DAV: 5 -0.997440501735E+02 -0.83911E-01 -0.83875E-01 728 0.346E+00 0.219E+01
DAV: 6 -0.913593797931E+02 0.83847E+01 -0.30471E+01 672 0.297E+01 0.115E+01
DAV: 7 -0.905898021525E+02 0.76958E+00 -0.17702E+00 728 0.628E+00 0.479E+00
DAV: 8 -0.902189046357E+02 0.37090E+00 -0.53608E-01 720 0.419E+00 0.168E+00
DAV: 9 -0.901283862276E+02 0.90518E-01 -0.12911E-01 720 0.160E+00 0.425E-01
DAV: 10 -0.901198818143E+02 0.85044E-02 -0.46049E-02 709 0.114E+00 0.316E-01
DAV: 11 -0.901241481999E+02 -0.42664E-02 -0.83312E-03 605 0.525E-01 0.127E-01
DAV: 12 -0.901267262500E+02 -0.25781E-02 -0.44687E-03 637 0.356E-01 0.122E-01
DAV: 13 -0.901290583792E+02 -0.23321E-02 -0.12577E-03 890 0.261E-01 0.667E-02
DAV: 14 -0.901326309765E+02 -0.35726E-02 -0.10996E-03 647 0.147E-01 0.459E-02
DAV: 15 -0.901346729736E+02 -0.20420E-02 -0.17981E-04 688 0.743E-02 0.338E-02
DAV: 16 -0.901365588655E+02 -0.18859E-02 -0.44099E-04 671 0.112E-01 0.256E-02
DAV: 17 -0.901371732438E+02 -0.61438E-03 -0.77777E-05 728 0.637E-02 0.216E-02
DAV: 18 -0.901374601927E+02 -0.28695E-03 -0.91957E-05 680 0.553E-02 0.147E-02
DAV: 19 -0.901375921744E+02 -0.13198E-03 -0.22901E-05 544 0.329E-02 0.573E-03
DAV: 20 -0.901376757421E+02 -0.83568E-04 -0.14659E-05 453 0.216E-02 0.229E-03
DAV: 21 -0.901377273990E+02 -0.51657E-04 -0.10168E-05 453 0.149E-02 0.396E-03
DAV: 22 -0.901377371708E+02 -0.97717E-05 -0.16110E-06 488 0.102E-02
1 F= -.90137737E+02 E0= -.90145885E+02 d E =0.244447E-01