[Pw_forum] Use different type of PP

ski2 at mail.uh.edu ski2 at mail.uh.edu
Fri Oct 10 17:49:13 CEST 2008


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
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