[Pw_forum] Problem with Pseudopotentials and Input Information

[Matthew M Montemore]

Hi all,

I'm new to QE and recently installed the svn version on a Linux cluster.  Unfortunately, I had some strange pseudopotential issues using ld1.x and pslibrary.0.2.5.  The upshot is that some of the PPs won't work unless I delete the input information from the file, and others won't work if I do delete the input information.  This seems to depend on the author of the particular PP.  I saw that adding the input file info is a fairly recent change (http://www.democritos.it/pipermail/pw_forum/2012-July/024717.html).  After deleting the input info from the proper PPs, everything seems to work just fine. I checked the numbers in one of the PP files against a file generated by a colleague, and they agree to plenty of decimal places.  I can also use my colleague's file with no problems, probably because it doesn't have the input info.  I just wanted to make the community aware of this issue and help out anyone having similar problems.  However, if anyone thinks that this issue indicates that I'm doing something wrong, please let me know.

Matt Montemore
University of Colorado Boulder