Dear All,
I tried to examine ZnO's properties with norm-conserving pseudopotetials,
but the calculation was crashed with
"
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
from read_ncpp : error # 1
order of wavefunctions
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
"
My pseudopotentials were generated by opium package 3.0.3 with Professor
Rappe's input settings, and QE is 4.0.4 version.
I wonder whether QE still support NCPP format or other special
consideration needs to take into for opium's pp ?
regards
Hai-Ping
--
Hai-Ping Lan
Department of Electronics ,
Peking University , Bejing, 100871
lanhaiping at gmail.com, hplan at pku.edu.cn
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