[Wien] (no subject)

[Li yan-ling]

Dear Blaha,
  I'm from China. When I run the wien2k package in order for calculating
the optic properties of TaS2, I can't continue.
  I have browsed the archives AND READ THE USERS GUIDE and the
FAQ pages Peter provides, but I couldn't solve my problem that way.
  The reference information as follows:

  I am running wien version 06.2 on a machine of type lenovo with
operating system linux, fortran compiler Pgi5.1.
  The purpose of my calculations is to get quantity optic: dieletric
tensor, refractive index, etc.
  I am running command "x optic" using input "optic.inop":
950 1        number of k-points, first k-point
-5.0 2.5      Emin, Emax for matrix elements
2             number of choices (columns in *outmat) - 0: MME into case.mme
1             Re xx
3             Re zz
OFF           ON/OFF   writes MME to unit 4
  When this command finished, the output file "optic.mommat" is empty,
Then I run "x joint" using input "optic.injoint" as follows:
    1   50                    : 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              : BROADENING (FOR DRUDE MODEL - switch 6,7 -
ONLY)
   The program stops at this point.
Killed
18.640u 15.800s 52:02.16 1.1%   0+0k 0+0io 6506pf+0w
error: command   /home/ylli/wien2k/joint joint.def   failed
[1]+  Exit 9                  x joint

  I have already tried to enlarge the Emax(in "optic.inop") and they did
not work.

  Can you help me?

Yours,
sinceleraly,
Yan-ling Li