There is makestruct (refer to section "5.1.2 Create the master input
file case.struct (makestruct lapw)" in the WIEN2k 14.2 usersguide [
and structeditor (refer to section "9.26 structeditor" in the usersguide).
There are probably many cif programs out there. For example, Bilbao
Crystallographic Server has STRCONVERT [
http://www.cryst.ehu.es/cryst/strconvert.html ]. You could likely
create a cif file with such a program, then use cif2struct (refer to
section "9.18 cif2struct" in the usersguide).
On 12/6/2016 6:27 PM, delamora wrote:
Dear WIEN2k community,
I have the atomic positions of the atoms in a large cell, how can I
make the struct file, is there a program other than "Struct Gen"
Pablo de la Mora
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