Hi, Dear all, currently I am trying to use the output file from pp.x for the spin polarization and charge density to calculate the spin polarization and charge sit on each atom.
Does anybody know what is the unit for the densities in the output file of pp.x both for spin polarization and charge density? A lot of Thanks Best Wen Shen Ph.D Candidate Georgetown University -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090727/2817b67f/attachment.htm
