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finding of reduced coordinate

Posted: Thu Mar 08, 2018 1:51 pm
by Rita Maji
Hi,
Can anybody tell me the conversion procedure from xcart to xred .


Thanks,
Rita

Re: finding of reduced coordinate

Posted: Mon Apr 09, 2018 10:11 pm
by NPike
Hello Rita Maji,

The conversion between xcart and xred involves the matrix rprim. See https://docs.abinit.org/variables/basic/#xred for a simple example.

-Nick