./iterations/neb0_image08_iter123_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 0.374973648218E+03 0.37497E+03 -0.14277E+04 624 0.799E+02
DAV: 2 0.331611529188E+01 -0.37166E+03 -0.35876E+03 869 0.196E+02
DAV: 3 -0.967259169911E+02 -0.10004E+03 -0.99703E+02 674 0.117E+02
DAV: 4 -0.101136922707E+03 -0.44110E+01 -0.44003E+01 704 0.279E+01
DAV: 5 -0.101224438164E+03 -0.87515E-01 -0.87481E-01 736 0.352E+00 0.226E+01
DAV: 6 -0.926082916687E+02 0.86161E+01 -0.30824E+01 714 0.302E+01 0.119E+01
DAV: 7 -0.917518888078E+02 0.85640E+00 -0.17034E+00 720 0.615E+00 0.480E+00
DAV: 8 -0.913752330554E+02 0.37666E+00 -0.55380E-01 704 0.401E+00 0.162E+00
DAV: 9 -0.912928935575E+02 0.82339E-01 -0.13019E-01 712 0.156E+00 0.423E-01
DAV: 10 -0.912839411995E+02 0.89524E-02 -0.45892E-02 736 0.111E+00 0.304E-01
DAV: 11 -0.912886017194E+02 -0.46605E-02 -0.13359E-02 624 0.596E-01 0.150E-01
DAV: 12 -0.912915734346E+02 -0.29717E-02 -0.29753E-03 606 0.254E-01 0.115E-01
DAV: 13 -0.912950379251E+02 -0.34645E-02 -0.13301E-03 709 0.203E-01 0.468E-02
DAV: 14 -0.912982980034E+02 -0.32601E-02 -0.71381E-04 656 0.153E-01 0.370E-02
DAV: 15 -0.912999090500E+02 -0.16110E-02 -0.20954E-04 672 0.917E-02 0.425E-02
DAV: 16 -0.913012261438E+02 -0.13171E-02 -0.41958E-04 653 0.106E-01 0.210E-02
DAV: 17 -0.913015998018E+02 -0.37366E-03 -0.79147E-05 744 0.651E-02 0.144E-02
DAV: 18 -0.913018562829E+02 -0.25648E-03 -0.42628E-05 629 0.297E-02 0.119E-02
DAV: 19 -0.913019621831E+02 -0.10590E-03 -0.12851E-05 464 0.176E-02 0.577E-03
DAV: 20 -0.913019934266E+02 -0.31243E-04 -0.72282E-06 472 0.178E-02 0.169E-03
DAV: 21 -0.913020186698E+02 -0.25243E-04 -0.68292E-06 401 0.136E-02 0.326E-03
DAV: 22 -0.913020226579E+02 -0.39881E-05 -0.11207E-06 496 0.529E-03
1 F= -.91302023E+02 E0= -.91307168E+02 d E =0.154355E-01