[Pw_forum] About Se pseudopotential
xianghjun
xhongjun at mail.ustc.edu.cn
Sun Sep 19 02:05:05 CEST 2004
Dear all:
Does anyone have the PBE pseudopotential for Se (uspp pseudopotential
is better)?
I have tried the Vanderbilt code (version 735), but failed.
The error is the following:
*** error: unreasonable q eigenvalues
I used the input files provided with uspp735 package with some minor
modifications.
The system I used is pgf77+linux, and I also tried g77 and failed again.
Any comments are welcome.
Best Regards,
xianghjun
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