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/[email protected]/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
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