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- From: tyoung@ippt.gov.pl
- To: forum@abinit.org
- Subject: supercell
- Date: Sat, 24 Nov 2007 01:58:47 +0100
Hello Users.
I am trying to work with a 2X2X2 crystal super cell, where 1 is the unit cell.
Everything works great for a unit cell! For the supercell I use the command
supercell 2*1 # creates a 2x2x2 super cell from primative cell
for a wurtzite structure to create a supercell. This I am sure is correct.
I cannot find any evidence in the output file to show ABINIT knows I want to
make super cell. He is using alot more memory for super cell than unitcell...
so I suppose it is working, but how to be sure?
I've tried "grep -Rv supercell my_output.file" ...and nothing. How to check?
Sorry for such a naive question; I am a little baffled. :-)
Best,
Toby
- supercell, tyoung, 11/24/2007
- Re: [abinit-forum] supercell, Anglade Pierre-Matthieu, 11/24/2007
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