[xcrysden] Building a supercell

[Omamuyovwi Akemu]

Dear Xcrysden User,

I have searched through the archives on how to use xcrysden to build a supercell.  

From my search, It is possible based on some comments I got like:


XCrySDen can build simple {N}x{M}x{K} type of supercells.
To correctly extract the atoms within the supercell do the following:

1. generate the supercell via menu: Modify-->Number of units drawn

2. change unit of repetition to translational asymmetric unit via menu
Display-->Unit of repetition ...-->Translation asymmetric unit

3, save the XSF file via: File-->Save XSF structure

Then in the so generated file the atoms within the supercell are printed
in the "ATOMS" section.


However I have not been able to apply my findings to my work. I used cygwin as a platform for QE calculations and I have xcrysden installed.
I will really appreciate any comment that will help me resolve this.
Thank you all.


Akemu Rita
UNIBEN
Nigeria.
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