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