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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



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