./iterations/neb0_image07_iter202_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 0.370800736472E+03 0.37080E+03 -0.14320E+04 632 0.799E+02
DAV: 2 0.347036371968E+01 -0.36733E+03 -0.35505E+03 869 0.194E+02
DAV: 3 -0.965196413723E+02 -0.99990E+02 -0.99689E+02 685 0.116E+02
DAV: 4 -0.101073008800E+03 -0.45534E+01 -0.45407E+01 712 0.280E+01
DAV: 5 -0.101164899062E+03 -0.91890E-01 -0.91834E-01 736 0.356E+00 0.226E+01
DAV: 6 -0.925704650832E+02 0.85944E+01 -0.30733E+01 717 0.300E+01 0.118E+01
DAV: 7 -0.917257191422E+02 0.84475E+00 -0.17207E+00 712 0.618E+00 0.479E+00
DAV: 8 -0.913535679094E+02 0.37215E+00 -0.53522E-01 728 0.396E+00 0.162E+00
DAV: 9 -0.912721031031E+02 0.81465E-01 -0.12884E-01 728 0.155E+00 0.420E-01
DAV: 10 -0.912633954775E+02 0.87076E-02 -0.41534E-02 720 0.106E+00 0.291E-01
DAV: 11 -0.912678394480E+02 -0.44440E-02 -0.11839E-02 616 0.561E-01 0.144E-01
DAV: 12 -0.912707516815E+02 -0.29122E-02 -0.25043E-03 632 0.255E-01 0.944E-02
DAV: 13 -0.912745662759E+02 -0.38146E-02 -0.16135E-03 639 0.201E-01 0.510E-02
DAV: 14 -0.912777356068E+02 -0.31693E-02 -0.88748E-04 770 0.227E-01 0.467E-02
DAV: 15 -0.912792682652E+02 -0.15327E-02 -0.42754E-04 656 0.115E-01 0.360E-02
DAV: 16 -0.912801313034E+02 -0.86304E-03 -0.17764E-04 752 0.799E-02 0.143E-02
DAV: 17 -0.912809994005E+02 -0.86810E-03 -0.13744E-04 725 0.619E-02 0.164E-02
DAV: 18 -0.912812258262E+02 -0.22643E-03 -0.24790E-05 576 0.366E-02 0.757E-03
DAV: 19 -0.912813580811E+02 -0.13225E-03 -0.34151E-05 621 0.299E-02 0.678E-03
DAV: 20 -0.912813851242E+02 -0.27043E-04 -0.27319E-06 496 0.140E-02 0.349E-03
DAV: 21 -0.912814068184E+02 -0.21694E-04 -0.41441E-06 417 0.109E-02 0.111E-03
DAV: 22 -0.912814214809E+02 -0.14662E-04 -0.16505E-06 423 0.538E-03 0.965E-04
DAV: 23 -0.912814241635E+02 -0.26825E-05 -0.39199E-07 496 0.239E-03
1 F= -.91281424E+02 E0= -.91286077E+02 d E =0.139593E-01