Dear Paolo
Thank you for replying.
I'll use it in qe-7.1 ver.
Kind regards
-Original Message-
From: Paolo Giannozzi
Sent: Wednesday, October 11, 2023 3:21 PM
To: Quantum ESPRESSO users Forum ;
Ishiyama,Takahisa_石山 貴久
Subject: Re: [QE-users] question about upf2plotcore.sh
I guess
I guess you should use the latest version, that contains this fix:
---
Author: Lorenzo Paulatto
Date: Wed Mar 17 15:04:19 2021 +0100
upf2plotcore despite its promise did not seem to work properly with
UPFv2, i.e. it would not print the radius R because the awk search
did not match the
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
//
