[Wien] Problem Wannier

Dr. Manish K. Kashyap kukspin at gmail.com
Fri Oct 7 01:44:19 CEST 2016


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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