[Q-e-developers] About the upf2plotcore.sh in XSpectra calculation

[huangxu1706 at sina.com]

Hi,
I have problem generating atomic-like wave 
functions from ultrasoft pseudopotential (USPP) 
using the 
upf2plotcore.sh script in QE-5.1 XSpectra package. I went over all of 
the examples 
of diamond, SiO2 and NiO xspectra calculations. Now I want 
try it in Fe2O3 hematite system 
using DFT-GGA+U method. The USPP I chose
 to use for Fe is called "Fe.pbe-nd-rrkjus.UPF". 
I down load it from QE 
website.
However, when I use the same command shown in the example script to generate atomic-like 
wave functions to get Fe.wfc:....../espresso-5.1/XSpectra/tools/upf2plotcore.sh ~/my_pseudo_dir/Fe.pbe-nd-rrkjus.UPF > ./Fe.wfc
I got an empty Fe.wfc file, which only has one line:# number of core states 0 =
I
 didn't get this problem when I was working on those examples of 
diamond, SiO2 and NiO 
using provided pseudopotentials in the package 
like:C_PBE_TM_2pj.UPFSi_PBE_USPP.UPFNi_PBE_TM_2pj.UPFThey
 are in ....../espresso-5.1/XSpectra/examples/pseudo. They could 
generate proper C.wfc, 
Si.wfc and Ni.wfc for following xspectra 
calculations.
So I'm wondering if there is any specific
 "requirement" for the choose of USPP in xspectra 
calculations. There 
are many different Fe-USPP in QE website. Do you know which of them can 

be used to generate Fe.wfc?
Thank you,Xu Huang 

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