[Pw_forum] some simple problems
oulihui666 at 126.com
Tue Oct 30 13:45:25 CET 2007
Dear Prof. Baroni,
The problem about display, I have solved, thank you very much. Recently, I encounter some problems, pwscf only do periodic hybrid density functional theory calculation, it could do any other general density functional theory calculation? Is there any principle about settings of k-point and cut-off energy?
Thanks in advance
PH.D Candidate in Electrochemistry
College of Chemistry and Molecular Science
Wuhan University,430072,Hubei Province,China
E-mail:oulihui666 at 126.com
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