./iterations/neb0_image06_iter177_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 0.370656216139E+03 0.37066E+03 -0.14345E+04 640 0.799E+02
DAV: 2 0.330932135600E+01 -0.36735E+03 -0.35544E+03 877 0.193E+02
DAV: 3 -0.959768277925E+02 -0.99286E+02 -0.98944E+02 685 0.116E+02
DAV: 4 -0.100506379944E+03 -0.45296E+01 -0.45175E+01 720 0.280E+01
DAV: 5 -0.100595702483E+03 -0.89323E-01 -0.89281E-01 728 0.352E+00 0.225E+01
DAV: 6 -0.920516452331E+02 0.85441E+01 -0.30589E+01 701 0.301E+01 0.118E+01
DAV: 7 -0.912210748409E+02 0.83057E+00 -0.17226E+00 728 0.626E+00 0.480E+00
DAV: 8 -0.908433707322E+02 0.37770E+00 -0.55874E-01 728 0.414E+00 0.164E+00
DAV: 9 -0.907557857717E+02 0.87585E-01 -0.12615E-01 712 0.156E+00 0.422E-01
DAV: 10 -0.907454700734E+02 0.10316E-01 -0.37399E-02 736 0.953E-01 0.286E-01
DAV: 11 -0.907495134630E+02 -0.40434E-02 -0.91605E-03 596 0.485E-01 0.143E-01
DAV: 12 -0.907523847132E+02 -0.28713E-02 -0.21411E-03 626 0.253E-01 0.847E-02
DAV: 13 -0.907561792364E+02 -0.37945E-02 -0.13171E-03 639 0.163E-01 0.607E-02
DAV: 14 -0.907601883655E+02 -0.40091E-02 -0.14002E-03 720 0.256E-01 0.503E-02
DAV: 15 -0.907613283966E+02 -0.11400E-02 -0.26350E-04 760 0.106E-01 0.425E-02
DAV: 16 -0.907625624658E+02 -0.12341E-02 -0.45254E-04 693 0.130E-01 0.209E-02
DAV: 17 -0.907633720295E+02 -0.80956E-03 -0.11884E-04 712 0.603E-02 0.144E-02
DAV: 18 -0.907636969189E+02 -0.32489E-03 -0.38200E-05 584 0.261E-02 0.909E-03
DAV: 19 -0.907638104691E+02 -0.11355E-03 -0.16130E-05 464 0.219E-02 0.289E-03
DAV: 20 -0.907638394490E+02 -0.28980E-04 -0.57860E-06 480 0.125E-02 0.205E-03
DAV: 21 -0.907638640104E+02 -0.24561E-04 -0.38286E-06 420 0.763E-03 0.257E-03
DAV: 22 -0.907638674887E+02 -0.34783E-05 -0.74812E-07 496 0.436E-03
1 F= -.90763867E+02 E0= -.90768469E+02 d E =0.138045E-01