iterations/neb0_image07_iter36_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 0.376290423029E+03 0.37629E+03 -0.14328E+04 632 0.799E+02
DAV: 2 0.385770406460E+01 -0.37243E+03 -0.35932E+03 861 0.196E+02
DAV: 3 -0.963635551222E+02 -0.10022E+03 -0.99888E+02 664 0.117E+02
DAV: 4 -0.100775564764E+03 -0.44120E+01 -0.44003E+01 728 0.285E+01
DAV: 5 -0.100860737751E+03 -0.85173E-01 -0.85149E-01 728 0.356E+00 0.230E+01
DAV: 6 -0.921008977940E+02 0.87598E+01 -0.30549E+01 671 0.304E+01 0.120E+01
DAV: 7 -0.911937009735E+02 0.90720E+00 -0.17145E+00 712 0.623E+00 0.482E+00
DAV: 8 -0.908098045315E+02 0.38390E+00 -0.56090E-01 696 0.409E+00 0.166E+00
DAV: 9 -0.907235707785E+02 0.86234E-01 -0.13408E-01 728 0.160E+00 0.438E-01
DAV: 10 -0.907133887407E+02 0.10182E-01 -0.40986E-02 760 0.105E+00 0.296E-01
DAV: 11 -0.907178478077E+02 -0.44591E-02 -0.11813E-02 607 0.598E-01 0.155E-01
DAV: 12 -0.907199393600E+02 -0.20916E-02 -0.18825E-03 640 0.235E-01 0.109E-01
DAV: 13 -0.907246419308E+02 -0.47026E-02 -0.30524E-03 633 0.306E-01 0.621E-02
DAV: 14 -0.907263569534E+02 -0.17150E-02 -0.38100E-04 712 0.154E-01 0.374E-02
DAV: 15 -0.907298040694E+02 -0.34471E-02 -0.81948E-04 609 0.157E-01 0.358E-02
DAV: 16 -0.907304635417E+02 -0.65947E-03 -0.81566E-05 768 0.745E-02 0.231E-02
DAV: 17 -0.907313762173E+02 -0.91268E-03 -0.19087E-04 687 0.847E-02 0.148E-02
DAV: 18 -0.907318689367E+02 -0.49272E-03 -0.62030E-05 674 0.441E-02 0.110E-02
DAV: 19 -0.907320309003E+02 -0.16196E-03 -0.14361E-05 496 0.181E-02 0.678E-03
DAV: 20 -0.907321043390E+02 -0.73439E-04 -0.15724E-05 473 0.211E-02 0.265E-03
DAV: 21 -0.907321231230E+02 -0.18784E-04 -0.36191E-06 480 0.119E-02 0.192E-03
DAV: 22 -0.907321385311E+02 -0.15408E-04 -0.28312E-06 394 0.725E-03 0.265E-03
DAV: 23 -0.907321394841E+02 -0.95294E-06 -0.41737E-07 536 0.508E-03
1 F= -.90732139E+02 E0= -.90737641E+02 d E =0.165031E-01