The file naming convention within the library of PPs on O-Sesame and PWscf seems rather arcane. I can figure out most, but one that has me stumped is -d- vs -nd-. "d-orbitals," "norm-conserving?"
Paul M. Grant, PhD Principal, W2AGZ Technologies Visiting Scholar, Applied Physics, Stanford University EPRI Science Fellow (Retired) IBM Research Staff Member Emeritus w2agz at pacbell.net http://www.w2agz.com -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20080115/67c2cd42/attachment.htm
