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请教各位前辈,使用p4vasp软件画pdos图时,每个轨道的图不显示是什么问题呢?INCAR如下
ISTART = 1
ICHARG = 11
PREC = Accurate
EDIFF = 1e-4
EDIFFG = -0.02
NPAR = 8
LPLANE = .TRUE.
ENCUT = 450
NELMIN = 3
LREAL = Auto
ISYM = 0
NWRITE = 1
NEDOS =1100
NGX =46
NGY =46
NGZ =66
IVDW=1
VDW_RADIUS=30.0
VDW_S6=0.75
VDW_SR=1.00
VDW_D=20.0
VDW_C6=10.800 0.7000 0.1400 10.800 1.7500
VDW_R0=1.5620 1.3420 1.0010 1.5620 1.4520
SPIN POLARIZATION SPECIFICATION
ISPIN = 2
LORBIT = 11
IONIC RELAXATION
NSW = 0
NBLOCK = 1
IBRION = -1
ISIF = 2
POTIM = 0.5
LWAVE = .F.
LCHARG = .F.
LDAU= .TRUE.
LDAUTYPE=2
LDAUU=3.8 0 0 4.3 0
LDAUJ=0 0 0 0 0
LDAUL=2 -1 -1 2 -1
#LMAXMIX=4
ELECTRON OCCUPATION
ISMEAR = -5
ALGO = fast
DOS Stuff
SIGMA = 0.05 check T*S to make sure
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