[Wien] (no subject)

[Peter Blaha]

Please update your version.
I guess there were some optics problems a year ago (see the update 
section of www.wien2k.at).

The mommat file should be empty, symmat must not !

>   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