我在用VASP计算氧化镥的态密度的时候,得出来的dos是非对称的,但是文献给出来的都是对称的,感谢大佬们为我指点迷津!!!感谢!!!
我的incar
ISTART=1
ICHARG=11
#PREC=Accurate
ALGO=All
#LREAL=.FALSE.
PRECFOCK = Fast
LDAU = .True.
LMAXMIX=6
LDAUTYPE =2
LDAUL=3 -1
LDAUU=5.5 0
LDAUJ=0 0
EDIFFG=-1E-02
IBRION=-1 #-1:the atom don't move
#ISIF=3
NSW=0
ENCUT=500
EDIFF=1E-05 #convergence standard
NELMIN = 5 #the least step number of electronic scf
NELM = 100 #the most step number of electronic scf
ISMEAR=0
SIGMA=0.1
LORBIT=11 #band and PDOS switch
ISPIN=2
NEDOS=3001 #the number of DOS points
EMIN=-12 #energy range of PDOS
EMAX=12
GGA=PE