Dear users,
I calculate XSpectra. And I wonder which script is used to obtain initial
wavefunction by upf2plotcore.sh.
Outpit is different using it in qe-6.7 and qe-7.1, especially the numerical
value and number of data obtained.
I found the difference between the versions below.
In qe-6.7
/<PP_R /,/<\/PP_R>/ { #E3
if ( $1 != "<PP_R" && $1 != "</PP_R>" ) { #E4
in qe-7.1
/<PP_R>/,/<\/PP_R>/ { #E3
if ( $1 != "<PP_R>" && $1 != "</PP_R>" ) { #E4
I don’t know well shell script, and if the difference is critical.
Which version should be used ? latest one?
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