primitive cell

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mazibi
Posts: 7
Joined: Mon Feb 25, 2013 1:54 pm

primitive cell

Post by mazibi » Wed Jul 22, 2015 4:47 pm

hi
i have a problem with my lattice
the lattice is not primitive cell i can use chkprim but i want to have a primitive cell from my lattice but i dont how
i know that i use brvltt -1 but in the output file or log it has just the acell and not the coordinate and angle
can you help me please
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jzwanzig
Posts: 504
Joined: Mon Aug 17, 2009 9:25 am

Re: primitive cell

Post by jzwanzig » Sun Aug 02, 2015 5:38 pm

can you post your input?
Josef W. Zwanziger
Professor, Department of Chemistry
Canada Research Chair in NMR Studies of Materials
Dalhousie University
Halifax, NS B3H 4J3 Canada
jzwanzig@gmail.com
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