[QE-users] ELF results not smooth

[yyyu200]

Hi all,
I have get electron localization function (ELF) and plot the result using VESTA. It looks strange beause the ELF scatters instead of smooth isosurfaces. Attached is my pp.x input and the plot. I test both ultrasoft and norm-conserving pseudopotentials in the scf run but the results are alike. Any suggestions?


Best,
Zhenyu


https://imgsa.baidu.com/forum/pic/item/0f8c981fa8d3fd1ffed1899a3c4e251f94ca5fba.jpg


&INPUTPP
prefix = 'rutile' ,
outdir = './output/' ,
filplot = '001_filplot_elf' ,
plot_num = 8,
/
&PLOT
nfile = 1 ,
filepp(1) = '001_filplot_elf',
weight(1) = 1.0,
fileout = '001_elf.cube' ,
iflag = 3 ,
output_format = 6 ,
interpolation = 'fourier' ,
/

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