[Wien] number of k-points problem when plotting band structure

王静 wangjingjing at ciac.jl.cn
Fri Nov 4 06:58:32 CET 2011


Hi, Sir,
  When plotting the band structure, I met the tips as follows:

number of k-points read in case.vector=         101
 here           1 Ci 
 here          21 Ci 
 here          41 Ci 
 here          61 Ci 
 here          81 Ci 
SPAGH END
0.436u 0.127s 0:00.60 91.6%     0+0k 0+0io 0pf+0w
It occurs in GGA+U whereas it not seen in GGA calculation. 
Any suggestions would be appreciated! 


	

        wangjingjing at ciac.jl.cn
          2011-11-04


More information about the Wien mailing list