File: clean_ps

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file content (28 lines) | stat: -rwxr-xr-x 738 bytes parent folder | download | duplicates (3)
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#!/bin/bash
#
#  The following PPs are not on the web and are not removed

tobesaved="HUSPBE.RRKJ3          \
	   O_US.van  H_US.van    \
	   Rh.pbe-rrkjus_lb.UPF  \
	   Rhs.pbe-rrkjus_lb.UPF \
	   Si.bhs	         \
	   Au.pz-rrkjus_aewfc.UPF\
	   C.UPF C_3.98148.UPF   \
	   pb_s.UPF              \
	   Si_r.upf              "
#
# REASON:
# HUSPBE.RRKJ3, O_US.van, H_US.van, Si.bhs, C.UPF : old formats
# Au.pz-rrkjus_aewfc.UPF : contains all-electron wavefunctions
# Rh.pbe-rrkjus_lb.UPF, Rhs.pbe-rrkjus_lb.UPF : core-hole PPs
# C_3.98148.UPF : B-C VCA pseudopotential, for slightly B-doped C systems
# pb_s.UPF  Si_r.upf : fully relativistic

mkdir .save
mv $tobesaved .save
/bin/rm *.UPF *.upf >& /dev/null
mv .save/* .
rmdir .save