[Wien] we need to Alm(k) and Blm(k) coefficients

[Gavin Abo]

No, it seems that it is because the x_lapw script no longer writes the 
file definition line to lapw2.def unless you use the -almd [ 
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg08588.html 
] or -alm switch.

So you either have to use those switches shown on page 58 of the WIEN2k 
14.2 usersguide [ http://www.wien2k.at/reg_user/textbooks/usersguide.pdf 
], modify lapw2.def by hand and use lapw2 lapw2.def, or modify x_lapw 
(e.g., remove "if ($?alm)" from the beginning of line 817).

Note, it looks like case.almblm likely has two different formats: One 
for "x lapw2 -alm" and the other for "x lapw2 -almd".

It looks like "x lapw2 -almd" is used for wien2triqs, see:

https://triqs.ipht.cnrs.fr/1.1/applications/dft_tools/Ce-HI.html

It looks like "x lapw2 -alm" is used for wannier-proj, you can see 
"wannier-proj_manual.pdf " at:

https://github.com/jeandiehl/wannier-proj/tree/master/doc

On 10/20/2016 6:56 AM, Uichiro Mizutani wrote:
> Dear Professor Blaha,
>
> We have another inquiry about the coefficients of APW+lo wave 
> function, Alm(k) and Blm(k). According to the users guide, we can 
> generate case.radwf and case.almblm files by replacing TOT at the top 
> of case.in2 by ALM. By this operation, we could get only the 
> case.radwf file but not case.almblm. It is stated that the file.almblm 
> is very big. Is this the reason why the case.almblm cannot be generated.
>
> Could you advise us how to generate the case.almblm file?
>
> Best regards,
>
> Uichiro