[Wien] Problems about generating case.radwf and .almblm files

[wasim raja Mondal]

Hi aarinas

                I donot know about rawdf file. But in the case.almblm file
I cal help you. After general run of scf , in your working directory just
type this command:

       x lapw2 -almd.

Regards
wasim


On Sat, May 25, 2013 at 10:13 AM, 万博 <arrinas at gmail.com> wrote:

> Dear Prof. Peter Blaha and wien2k users,
>           I am trying to generate the case.radwf and case.almblm files
> with Wien2k.
>           According to th UG, the radial wave function and the
> coefficients can be generated by the switch ALM in case.in2.
>           As a test, I use the fcc-Al structure.After SCF , I change the
> TOT in Al.in2 to ALM, and run: x lapw2. Finally, Al.radwf and Al.almblm are
> generated.
>           However,the almblm file is empty, I am wondering maybe there is
> step been missed.Any suggestion will be appreciated.
>             The radwf is not empty with the lines look like:
>    1 781   0.0001000000   0.0129828604   2.5000000000
>            0
>     0.8560851077E-03   -0.5577129375E-02    0.2349626386E-03
> -0.1530708830E-02    0.0000000000E+00    0.0000000000E+00
> 0.0000000000E+00    0.0000000000E+00    0.0000000000E+00    0.0000000000E+00
>     0.8672212243E-03   -0.5649677726E-02    0.2380190769E-03
> -0.1550620579E-02    0.0000000000E+00    0.0000000000E+00
> 0.0000000000E+00    0.0000000000E+00    0.0000000000E+00    0.0000000000E+00
>     0.8785022017E-03   -0.5723169800E-02    0.2411152740E-03
> -0.1570791345E-02    0.0000000000E+00    0.0000000000E+00
> 0.0000000000E+00    0.0000000000E+00    0.0000000000E+00    0.0000000000E+00
>     0.8899239232E-03   -0.5797907191E-02    0.2442500999E-03
> -0.1591304126E-02    0.0000000000E+00    0.0000000000E+00
> 0.0000000000E+00    0.0000000000E+00    0.0000000000E+00    0.0000000000E+00
>              Could anyone tell me the meaning of this file?
>
>
>       Best Regards,
>       Bo Wan
>
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