./iterations/neb0_image08_iter120_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 0.375076538576E+03 0.37508E+03 -0.14278E+04 624 0.799E+02
DAV: 2 0.330557987867E+01 -0.37177E+03 -0.35891E+03 869 0.196E+02
DAV: 3 -0.967483729271E+02 -0.10005E+03 -0.99715E+02 677 0.117E+02
DAV: 4 -0.101156066898E+03 -0.44077E+01 -0.43971E+01 704 0.278E+01
DAV: 5 -0.101243353412E+03 -0.87287E-01 -0.87253E-01 736 0.352E+00 0.227E+01
DAV: 6 -0.926135421838E+02 0.86298E+01 -0.30836E+01 714 0.302E+01 0.119E+01
DAV: 7 -0.917536358601E+02 0.85991E+00 -0.17084E+00 720 0.615E+00 0.480E+00
DAV: 8 -0.913769127885E+02 0.37672E+00 -0.55153E-01 704 0.400E+00 0.163E+00
DAV: 9 -0.912942812288E+02 0.82632E-01 -0.13100E-01 712 0.156E+00 0.423E-01
DAV: 10 -0.912854003089E+02 0.88809E-02 -0.46385E-02 760 0.112E+00 0.306E-01
DAV: 11 -0.912901139174E+02 -0.47136E-02 -0.13737E-02 613 0.609E-01 0.151E-01
DAV: 12 -0.912929719320E+02 -0.28580E-02 -0.29318E-03 614 0.252E-01 0.115E-01
DAV: 13 -0.912964869777E+02 -0.35150E-02 -0.14119E-03 682 0.206E-01 0.467E-02
DAV: 14 -0.912998672966E+02 -0.33803E-02 -0.74690E-04 656 0.158E-01 0.374E-02
DAV: 15 -0.913013222361E+02 -0.14549E-02 -0.20631E-04 672 0.940E-02 0.420E-02
DAV: 16 -0.913026546317E+02 -0.13324E-02 -0.41991E-04 650 0.106E-01 0.209E-02
DAV: 17 -0.913030485934E+02 -0.39396E-03 -0.85062E-05 736 0.667E-02 0.140E-02
DAV: 18 -0.913033157979E+02 -0.26720E-03 -0.42898E-05 634 0.292E-02 0.120E-02
DAV: 19 -0.913034158811E+02 -0.10008E-03 -0.12949E-05 464 0.179E-02 0.566E-03
DAV: 20 -0.913034485737E+02 -0.32693E-04 -0.76178E-06 472 0.186E-02 0.160E-03
DAV: 21 -0.913034726994E+02 -0.24126E-04 -0.64369E-06 404 0.129E-02 0.328E-03
DAV: 22 -0.913034766344E+02 -0.39350E-05 -0.10004E-06 496 0.511E-03
1 F= -.91303477E+02 E0= -.91308617E+02 d E =0.154213E-01