[Pw_forum] some naive problems

oulihui666 oulihui666 at 126.com
Fri Nov 2 03:26:32 CET 2007


Dear pwscf users,
  Recently, I encounter some problems, Do pwscf only periodic hybrid density functional theory calculation, it could do any other general density functional theory calculation? Is there any principle about setting of k-point and cut-off energy? 
 
Best wishes
Lihui Ou
 
 
 
 

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Lihui Ou
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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