> This is really the first problem I have encountered using PWSCF where things > didn't behave as they should. Could it be that I am using 2.1?
do you have a specific reason to use version 2.1? did you check with the current version? please don't expect people to fix problems in obsolete versions of the package. cheers, axel. ps: when reporting problems, please _always_ report the version of the code your are using and the platform you are running on. this makes isolating the problem _so_ much easier. there is nothing more frustrating than locating a bug and then seeing that this bug has already been fixed in a later version of the code or that the code was compiled with a compiler that is known to miscompile the code. > > Eric > > -- ======================================================================= Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu http://www.cmm.upenn.edu Center for Molecular Modeling -- University of Pennsylvania Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323 tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425 ======================================================================= If you make something idiot-proof, the universe creates a better idiot.
