[Wien] Optic calculation

[Guan Pengfei]

Dear User：
          I calculation the optic properties of NaCl; the dielectric
constant is 9.0; but the experimental value is ~ 6.0, Is't wrong with my
calculation?
          I got the value by this flow:
                  run_lapw
                  x kgen
                  edit nacl.in2 "FERMI, TETRA 101"
                   run_lapw -s lapw1 -e lcore
                   x optic
                   x joint
                   x kram
      the input files are :
         nacl.inop
286 1        number of k-points, first k-point
-5.0 1.0      Emin, Emax for matrix elements
2
1             Re xx
3             Re zz
ON           ON/OFF   writes MME to unit 4
         nacl.injoint
    1   14                    : LOWER AND UPPER BANDINDEX
   0.0000    0.00100   1.0000 : EMIN DE EMAX FOR ENERGYGRID IN ryd
eV                            : output units  eV / ryd  / cm-1
     4                        : SWITCH
     2                        : NUMBER OF COLUMNS
   0.1  0.1  0.3
          nacl.inkram
  0.00
  0.0
  0
 12.60   plasma frequencies  (from joint, opt 6)
  0.20   Gammas for Drude terms

Thanks for all advices!!!!!! I am crazy for the dielectric constant now:)
                                                             Pengfei

-- 
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Guan Pengfei,  Ph. D
Inst.f. Physics, Tsinghua U, Beijing, China
Phone: +86-010-6218-2756        Mobile: +86-138-1060-9671
Email: miracle.fei at gmail.com
WWW: http://www.phys.tsinghua.edu.cn
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