[CPMD-list] one question
weizhuang
weiz at mail.rochester.edu
Thu Mar 7 22:34:51 CET 2002
a warning message appeared in the output file:
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
?WARNING! XC FUNCTIONALS INCONSISTENT FOR h.pp
?!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
does it mean that my pseudopotential file is wrong? I used fhi98PP to create
this pp file, and just recast it. so if it is wrong, what more should I do to
the output file of fhi98PP?
regards
wei zhuang
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