[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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