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
