./iterations/neb0_image08_iter267_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 0.374266927482E+03 0.37427E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.404942905823E+01 -0.37022E+03 -0.35790E+03 869 0.196E+02
DAV: 3 -0.967260902516E+02 -0.10078E+03 -0.10045E+03 669 0.117E+02
DAV: 4 -0.101267739680E+03 -0.45416E+01 -0.45291E+01 712 0.285E+01
DAV: 5 -0.101355392958E+03 -0.87653E-01 -0.87606E-01 728 0.360E+00 0.227E+01
DAV: 6 -0.926566033171E+02 0.86988E+01 -0.31051E+01 714 0.301E+01 0.119E+01
DAV: 7 -0.917915823407E+02 0.86502E+00 -0.17208E+00 728 0.612E+00 0.480E+00
DAV: 8 -0.914170863833E+02 0.37450E+00 -0.53483E-01 720 0.393E+00 0.163E+00
DAV: 9 -0.913364006254E+02 0.80686E-01 -0.13278E-01 728 0.155E+00 0.421E-01
DAV: 10 -0.913283410075E+02 0.80596E-02 -0.46306E-02 760 0.111E+00 0.306E-01
DAV: 11 -0.913333600626E+02 -0.50191E-02 -0.15509E-02 616 0.649E-01 0.159E-01
DAV: 12 -0.913360984106E+02 -0.27383E-02 -0.29922E-03 626 0.238E-01 0.114E-01
DAV: 13 -0.913398810530E+02 -0.37826E-02 -0.29324E-03 639 0.282E-01 0.595E-02
DAV: 14 -0.913431281846E+02 -0.32471E-02 -0.10071E-03 664 0.183E-01 0.295E-02
DAV: 15 -0.913444960313E+02 -0.13678E-02 -0.19127E-04 672 0.740E-02 0.182E-02
DAV: 16 -0.913455020552E+02 -0.10060E-02 -0.14866E-04 631 0.709E-02 0.108E-02
DAV: 17 -0.913459110027E+02 -0.40895E-03 -0.37811E-05 672 0.281E-02 0.108E-02
DAV: 18 -0.913460103619E+02 -0.99359E-04 -0.11164E-05 512 0.233E-02 0.542E-03
DAV: 19 -0.913461602179E+02 -0.14986E-03 -0.24862E-05 516 0.224E-02 0.479E-03
DAV: 20 -0.913461744931E+02 -0.14275E-04 -0.18857E-06 520 0.108E-02 0.261E-03
DAV: 21 -0.913461937031E+02 -0.19210E-04 -0.56806E-06 409 0.144E-02 0.275E-03
DAV: 22 -0.913461990129E+02 -0.53098E-05 -0.11613E-06 480 0.743E-03
1 F= -.91346199E+02 E0= -.91351203E+02 d E =0.150126E-01