[Pw_forum] I wnat to ask why the DOS calculation of conduction part disappeared ?

r95222066 at ntu.edu.tw r95222066 at ntu.edu.tw
Mon Mar 17 17:40:32 CET 2008


Dear all PWscf user,
        I had calculated DOS calculation and compared my result with  
the paper . My result is good match with the paper DOS calculation  
,but My DOS result had no conduction part ( higher energy part ). I  
wnat to ask why the DOS calculation of conduction part disappeared ?  
Is my pseudopotential chosen problem ? I choose PBE  
exchange-correlation pseudopoential .
Thanks a lot !

           Bing-Hong Chen , National Taiwan University,Taiwan



More information about the users mailing list