[Wien] Problem Wannier

[novakp at fzu.cz]

Dear Manish Kumar,

wannier90 is not included in the WIEN2k, but it is a freeware,which you
can download from the wannier90 web page. If you compile the last version
and put it in directory wannier90, the sequence of commands is
x kgen -fbz
x lapw1 -p -orb
write_inwf
write_win
~/wannier/wannier90.x -pp case
x w2w -p
~/wannier/wannier90.x case

file case.fermi should be present, it contains single line with the Fermi
energy.
The command
cp case.klist case.klist_w90
is no longer needed.

Regards
Pavel Novak

> Dear WIEN2k users
>
> We are running the calculations for crystal field parameters of one sample
> case as given on WIEN2k website.
> We have reached on 3rd step successfully in which we are doing wannier90
> calculations.
> We followed as per instructions given by Prof. P. Novak in his notes and
> w2w notes.
> x kgen -fbz
> cp case.klist case.klist_w90
> x lapw1 -orb -p
> write_inwf
> write_win
> x wannier90 -pp
>
> With last command,we are getting the following error
>
> line 156: wannier90.x: Command not found
> error: command /opt/WIEN2k/wannier90  failed
>
> Please help us to sort this problem
>
> With regards-
> Manish Kumar
> Kurukshetra University
> Kurukshetra (INDIA)
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