[Pw_forum] Use different type of PP

[ski2 at mail.uh.edu]

Dear all,

I have a quick question about utilization of pseudopentials.

Is it possible to use Vanderbilt ultrasoft PPs with  Martins-Troullier PPs in an electronic structure calculation?
For example: I.pbe-mt_bw.UPF and O.pbe-van_bm.UPF

Best Wishes,
Sang-Hwan


Department of Chemistry
University of Houston
136 Fleming Building
Houston, TX 77204-5003
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20081010/150d09b4/attachment.htm