iterations/neb0_image04_iter10_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 0.358684680319E+03 0.35868E+03 -0.14252E+04 632 0.799E+02
DAV: 2 0.619475313764E+01 -0.35249E+03 -0.33965E+03 834 0.192E+02
DAV: 3 -0.924101932466E+02 -0.98605E+02 -0.98122E+02 685 0.115E+02
DAV: 4 -0.971793946782E+02 -0.47692E+01 -0.47536E+01 688 0.281E+01
DAV: 5 -0.972822390213E+02 -0.10284E+00 -0.10279E+00 720 0.364E+00 0.213E+01
DAV: 6 -0.888751571146E+02 0.84071E+01 -0.31401E+01 717 0.299E+01 0.110E+01
DAV: 7 -0.881525977021E+02 0.72256E+00 -0.16218E+00 736 0.662E+00 0.474E+00
DAV: 8 -0.877926419963E+02 0.35996E+00 -0.64630E-01 712 0.444E+00 0.168E+00
DAV: 9 -0.877129947825E+02 0.79647E-01 -0.13636E-01 712 0.176E+00 0.454E-01
DAV: 10 -0.877063338439E+02 0.66609E-02 -0.25011E-02 720 0.762E-01 0.284E-01
DAV: 11 -0.877097530037E+02 -0.34192E-02 -0.13079E-02 608 0.692E-01 0.164E-01
DAV: 12 -0.877109103902E+02 -0.11574E-02 -0.21327E-03 768 0.325E-01 0.117E-01
DAV: 13 -0.877157720203E+02 -0.48616E-02 -0.59175E-03 641 0.525E-01 0.115E-01
DAV: 14 -0.877174772172E+02 -0.17052E-02 -0.15080E-03 888 0.275E-01 0.542E-02
DAV: 15 -0.877194846160E+02 -0.20074E-02 -0.13847E-03 669 0.224E-01 0.553E-02
DAV: 16 -0.877210104561E+02 -0.15258E-02 -0.34514E-04 890 0.130E-01 0.299E-02
DAV: 17 -0.877216166743E+02 -0.60622E-03 -0.18350E-04 704 0.838E-02 0.131E-02
DAV: 18 -0.877224038273E+02 -0.78715E-03 -0.11994E-04 638 0.531E-02 0.162E-02
DAV: 19 -0.877225244700E+02 -0.12064E-03 -0.74444E-06 509 0.273E-02 0.103E-02
DAV: 20 -0.877226966252E+02 -0.17216E-03 -0.68920E-05 630 0.465E-02 0.926E-03
DAV: 21 -0.877227142703E+02 -0.17645E-04 -0.69652E-06 520 0.252E-02 0.392E-03
DAV: 22 -0.877227521378E+02 -0.37868E-04 -0.98467E-06 411 0.156E-02 0.232E-03
DAV: 23 -0.877227628794E+02 -0.10742E-04 -0.23352E-06 493 0.679E-03 0.215E-03
DAV: 24 -0.877227648298E+02 -0.19504E-05 -0.65867E-07 501 0.613E-03
1 F= -.87722765E+02 E0= -.87726631E+02 d E =0.115998E-01