It is mentioned in the userguide when the file case.struct is described: -> atomic positions are specified in fractional coordinates.
Cheers Xavier Le 24/06/2014 14:21, sikandar azam a écrit :
Dear AllPlease clear me that the atomic position which we are using in wien2k are in cartesian coordinates or in fractional.with regard azam _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
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