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update qe version numbers to 7.3.1
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@fabrizio2
fabrizio2 committed Feb 14, 2024
1 parent 6b8f54d commit 0d87b7f
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Showing 69 changed files with 71 additions and 69 deletions.
2 changes: 1 addition & 1 deletion CPV/Doc/INPUT_CP.html
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<tr><th style="margin: 3 3 3 10; background: #005789; background: linear-gradient(rgba(0,87,137,1),rgba(0,119,189,1)); color: #ffffee; ">
<h1 style="margin: 10 10 10 15; text-align: left;"> Input File Description </h1>
<h2 style="margin: 10 10 10 15; text-align: left;"> Program:
cp.x / CP / Quantum ESPRESSO<span style="font-weight: normal;"> (version: 7.3)</span>
cp.x / CP / Quantum ESPRESSO<span style="font-weight: normal;"> (version: 7.3.1)</span>
</h2>
</th></tr>
<tr><td style="padding: 10 3 3 3; background: #ffffff; color: #222222; ">
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2 changes: 1 addition & 1 deletion CPV/Doc/INPUT_CP.txt
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------------------------------------------------------------------------
INPUT FILE DESCRIPTION

Program: cp.x / CP / Quantum ESPRESSO (version: 7.3)
Program: cp.x / CP / Quantum ESPRESSO (version: 7.3.1)
------------------------------------------------------------------------


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2 changes: 1 addition & 1 deletion CPV/Doc/INPUT_CPPP.html
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<tr><th style="margin: 3 3 3 10; background: #005789; background: linear-gradient(rgba(0,87,137,1),rgba(0,119,189,1)); color: #ffffee; ">
<h1 style="margin: 10 10 10 15; text-align: left;"> Input File Description </h1>
<h2 style="margin: 10 10 10 15; text-align: left;"> Program:
cppp.x / CP / Quantum ESPRESSO<span style="font-weight: normal;"> (version: 7.3)</span>
cppp.x / CP / Quantum ESPRESSO<span style="font-weight: normal;"> (version: 7.3.1)</span>
</h2>
</th></tr>
<tr><td style="padding: 10 3 3 3; background: #ffffff; color: #222222; ">
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2 changes: 1 addition & 1 deletion CPV/Doc/INPUT_CPPP.txt
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------------------------------------------------------------------------
INPUT FILE DESCRIPTION

Program: cppp.x / CP / Quantum ESPRESSO (version: 7.3)
Program: cppp.x / CP / Quantum ESPRESSO (version: 7.3.1)
------------------------------------------------------------------------


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2 changes: 1 addition & 1 deletion CPV/Doc/tp.tex
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\begin{center}
\def\version{7.3}
\def\version{7.3.1}
\def\qeImage{../../Doc/quantum_espresso}


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2 changes: 1 addition & 1 deletion Doc/Hubbard_input.tex
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\documentclass[12pt,a4paper]{article}

\def\version{7.3}
\def\version{7.3.1}
\def\qe{{\sc Quantum ESPRESSO}}

%\usepackage{html}
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2 changes: 1 addition & 1 deletion Doc/brillouin_zones.tex
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\documentclass[12pt,a4paper]{article}
\def\version{7.3}
\def\version{7.3.1}
\def\qe{{\sc Quantum ESPRESSO}}
\textwidth = 17cm
\textheight = 24cm
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4 changes: 3 additions & 1 deletion Doc/release-notes
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Expand Up @@ -2,6 +2,8 @@ New in 7.3.1 version:
* Various improvements and bug fixes for pw2wannier.f90 (Junfeng Qiao)

Fixed in 7.3.1 version:
* In CPV the mgga contribution to the force was missing on the GPU side.
Now it has been added (CPU and GPU runs match).
* f channel of GTH pseudopotentials fixed again (see issue #86 on gitlab)
Thanks to Chang Liu for reporting.
* Distributed parallel diagonalization (option -nd N with N=4,9,16,25,...)
Expand Down Expand Up @@ -29,7 +31,7 @@ Incompatible changes in 7.3 version:
* Small changes in options "iprint" and "disk_io" of PWscf
* More pseudopotential-related code restructured and moved to upflib/

Fixed in 7.3 version:
Fixed in 7.3 version:
* Incorrect PP_SEMILOCAL field written for old-style pseudopotentials.
May cause crashes (but not bad numbers). Reported by Jibiao Li.
* Wrong output from Libxc-based gga-exchange functionals (gga_x) due to
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2 changes: 1 addition & 1 deletion Doc/user_guide.tex
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\documentclass[12pt,a4paper]{article}
\def\version{7.3}
\def\version{7.3.1}
\def\qe{{\sc Quantum ESPRESSO}}

\usepackage{html}
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2 changes: 1 addition & 1 deletion HP/Doc/INPUT_HP.html
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<tr><th style="margin: 3 3 3 10; background: #005789; background: linear-gradient(rgba(0,87,137,1),rgba(0,119,189,1)); color: #ffffee; ">
<h1 style="margin: 10 10 10 15; text-align: left;"> Input File Description </h1>
<h2 style="margin: 10 10 10 15; text-align: left;"> Program:
hp.x / PWscf / Quantum ESPRESSO<span style="font-weight: normal;"> (version: 7.3)</span>
hp.x / PWscf / Quantum ESPRESSO<span style="font-weight: normal;"> (version: 7.3.1)</span>
</h2>
</th></tr>
<tr><td style="padding: 10 3 3 3; background: #ffffff; color: #222222; ">
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2 changes: 1 addition & 1 deletion HP/Doc/INPUT_HP.txt
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------------------------------------------------------------------------
INPUT FILE DESCRIPTION

Program: hp.x / PWscf / Quantum ESPRESSO (version: 7.3)
Program: hp.x / PWscf / Quantum ESPRESSO (version: 7.3.1)
------------------------------------------------------------------------


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2 changes: 1 addition & 1 deletion KCW/Doc/INPUT_kcw.html
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<tr><th style="margin: 3 3 3 10; background: #005789; background: linear-gradient(rgba(0,87,137,1),rgba(0,119,189,1)); color: #ffffee; ">
<h1 style="margin: 10 10 10 15; text-align: left;"> Input File Description </h1>
<h2 style="margin: 10 10 10 15; text-align: left;"> Program:
kcw.x / KCW / Quantum ESPRESSO<span style="font-weight: normal;"> (version: 7.3)</span>
kcw.x / KCW / Quantum ESPRESSO<span style="font-weight: normal;"> (version: 7.3.1)</span>
</h2>
</th></tr>
<tr><td style="padding: 10 3 3 3; background: #ffffff; color: #222222; ">
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2 changes: 1 addition & 1 deletion KCW/Doc/INPUT_kcw.txt
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------------------------------------------------------------------------
INPUT FILE DESCRIPTION

Program: kcw.x / KCW / Quantum ESPRESSO (version: 7.3)
Program: kcw.x / KCW / Quantum ESPRESSO (version: 7.3.1)
------------------------------------------------------------------------


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2 changes: 1 addition & 1 deletion NEB/Doc/INPUT_NEB.html
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<tr><th style="margin: 3 3 3 10; background: #005789; background: linear-gradient(rgba(0,87,137,1),rgba(0,119,189,1)); color: #ffffee; ">
<h1 style="margin: 10 10 10 15; text-align: left;"> Input File Description </h1>
<h2 style="margin: 10 10 10 15; text-align: left;"> Program:
neb.x / NEB / Quantum ESPRESSO<span style="font-weight: normal;"> (version: 7.3)</span>
neb.x / NEB / Quantum ESPRESSO<span style="font-weight: normal;"> (version: 7.3.1)</span>
</h2>
</th></tr>
<tr><td style="padding: 10 3 3 3; background: #ffffff; color: #222222; ">
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2 changes: 1 addition & 1 deletion NEB/Doc/INPUT_NEB.txt
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------------------------------------------------------------------------
INPUT FILE DESCRIPTION

Program: neb.x / NEB / Quantum ESPRESSO (version: 7.3)
Program: neb.x / NEB / Quantum ESPRESSO (version: 7.3.1)
------------------------------------------------------------------------


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2 changes: 1 addition & 1 deletion NEB/Doc/user_guide.tex
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\documentclass[12pt,a4paper]{article}
\def\version{7.3}
\def\version{7.3.1}
\def\qe{{\sc Quantum ESPRESSO}}
\def\NEB{\texttt{PWneb}} % to be decided
\usepackage{html}
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2 changes: 1 addition & 1 deletion PHonon/Doc/INPUT_PH.html
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<tr><th style="margin: 3 3 3 10; background: #005789; background: linear-gradient(rgba(0,87,137,1),rgba(0,119,189,1)); color: #ffffee; ">
<h1 style="margin: 10 10 10 15; text-align: left;"> Input File Description </h1>
<h2 style="margin: 10 10 10 15; text-align: left;"> Program:
ph.x / PHonon / Quantum ESPRESSO<span style="font-weight: normal;"> (version: 7.3)</span>
ph.x / PHonon / Quantum ESPRESSO<span style="font-weight: normal;"> (version: 7.3.1)</span>
</h2>
</th></tr>
<tr><td style="padding: 10 3 3 3; background: #ffffff; color: #222222; ">
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2 changes: 1 addition & 1 deletion PHonon/Doc/INPUT_PH.txt
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------------------------------------------------------------------------
INPUT FILE DESCRIPTION

Program: ph.x / PHonon / Quantum ESPRESSO (version: 7.3)
Program: ph.x / PHonon / Quantum ESPRESSO (version: 7.3.1)
------------------------------------------------------------------------


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2 changes: 1 addition & 1 deletion PHonon/Doc/user_guide.tex
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\documentclass[12pt,a4paper]{article}
\def\version{7.3}
\def\version{7.3.1}
\def\qe{{\sc Quantum ESPRESSO}}

\usepackage{html}
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2 changes: 1 addition & 1 deletion PP/Doc/INPUT_BANDS.html
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<tr><th style="margin: 3 3 3 10; background: #005789; background: linear-gradient(rgba(0,87,137,1),rgba(0,119,189,1)); color: #ffffee; ">
<h1 style="margin: 10 10 10 15; text-align: left;"> Input File Description </h1>
<h2 style="margin: 10 10 10 15; text-align: left;"> Program:
bands.x / PWscf / Quantum ESPRESSO<span style="font-weight: normal;"> (version: 7.3)</span>
bands.x / PWscf / Quantum ESPRESSO<span style="font-weight: normal;"> (version: 7.3.1)</span>
</h2>
</th></tr>
<tr><td style="padding: 10 3 3 3; background: #ffffff; color: #222222; ">
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2 changes: 1 addition & 1 deletion PP/Doc/INPUT_BANDS.txt
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------------------------------------------------------------------------
INPUT FILE DESCRIPTION

Program: bands.x / PWscf / Quantum ESPRESSO (version: 7.3)
Program: bands.x / PWscf / Quantum ESPRESSO (version: 7.3.1)
------------------------------------------------------------------------


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2 changes: 1 addition & 1 deletion PP/Doc/INPUT_BAND_INTERPOLATION.html
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<tr><th style="margin: 3 3 3 10; background: #005789; background: linear-gradient(rgba(0,87,137,1),rgba(0,119,189,1)); color: #ffffee; ">
<h1 style="margin: 10 10 10 15; text-align: left;"> Input File Description </h1>
<h2 style="margin: 10 10 10 15; text-align: left;"> Program:
band_interpolation.x / PWscf / Quantum ESPRESSO<span style="font-weight: normal;"> (version: 7.3)</span>
band_interpolation.x / PWscf / Quantum ESPRESSO<span style="font-weight: normal;"> (version: 7.3.1)</span>
</h2>
</th></tr>
<tr><td style="padding: 10 3 3 3; background: #ffffff; color: #222222; ">
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2 changes: 1 addition & 1 deletion PP/Doc/INPUT_BAND_INTERPOLATION.txt
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------------------------------------------------------------------------
INPUT FILE DESCRIPTION

Program: band_interpolation.x / PWscf / Quantum ESPRESSO (version: 7.3)
Program: band_interpolation.x / PWscf / Quantum ESPRESSO (version: 7.3.1)
------------------------------------------------------------------------


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2 changes: 1 addition & 1 deletion PP/Doc/INPUT_D3HESS.html
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<tr><th style="margin: 3 3 3 10; background: #005789; background: linear-gradient(rgba(0,87,137,1),rgba(0,119,189,1)); color: #ffffee; ">
<h1 style="margin: 10 10 10 15; text-align: left;"> Input File Description </h1>
<h2 style="margin: 10 10 10 15; text-align: left;"> Program:
d3hess.x / PWscf / Quantum ESPRESSO<span style="font-weight: normal;"> (version: 7.3)</span>
d3hess.x / PWscf / Quantum ESPRESSO<span style="font-weight: normal;"> (version: 7.3.1)</span>
</h2>
</th></tr>
<tr><td style="padding: 10 3 3 3; background: #ffffff; color: #222222; ">
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2 changes: 1 addition & 1 deletion PP/Doc/INPUT_D3HESS.txt
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------------------------------------------------------------------------
INPUT FILE DESCRIPTION

Program: d3hess.x / PWscf / Quantum ESPRESSO (version: 7.3)
Program: d3hess.x / PWscf / Quantum ESPRESSO (version: 7.3.1)
------------------------------------------------------------------------


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2 changes: 1 addition & 1 deletion PP/Doc/INPUT_DOS.html
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<tr><th style="margin: 3 3 3 10; background: #005789; background: linear-gradient(rgba(0,87,137,1),rgba(0,119,189,1)); color: #ffffee; ">
<h1 style="margin: 10 10 10 15; text-align: left;"> Input File Description </h1>
<h2 style="margin: 10 10 10 15; text-align: left;"> Program:
dos.x / PWscf / Quantum ESPRESSO<span style="font-weight: normal;"> (version: 7.3)</span>
dos.x / PWscf / Quantum ESPRESSO<span style="font-weight: normal;"> (version: 7.3.1)</span>
</h2>
</th></tr>
<tr><td style="padding: 10 3 3 3; background: #ffffff; color: #222222; ">
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2 changes: 1 addition & 1 deletion PP/Doc/INPUT_DOS.txt
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------------------------------------------------------------------------
INPUT FILE DESCRIPTION

Program: dos.x / PWscf / Quantum ESPRESSO (version: 7.3)
Program: dos.x / PWscf / Quantum ESPRESSO (version: 7.3.1)
------------------------------------------------------------------------


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2 changes: 1 addition & 1 deletion PP/Doc/INPUT_IMPORTEXPORT_BINARY.html
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<tr><th style="margin: 3 3 3 10; background: #005789; background: linear-gradient(rgba(0,87,137,1),rgba(0,119,189,1)); color: #ffffee; ">
<h1 style="margin: 10 10 10 15; text-align: left;"> Input File Description </h1>
<h2 style="margin: 10 10 10 15; text-align: left;"> Program:
importexport_binary.x / PWscf / Quantum ESPRESSO<span style="font-weight: normal;"> (version: 7.3)</span>
importexport_binary.x / PWscf / Quantum ESPRESSO<span style="font-weight: normal;"> (version: 7.3.1)</span>
</h2>
</th></tr>
<tr><td style="padding: 10 3 3 3; background: #ffffff; color: #222222; ">
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2 changes: 1 addition & 1 deletion PP/Doc/INPUT_IMPORTEXPORT_BINARY.txt
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------------------------------------------------------------------------
INPUT FILE DESCRIPTION

Program: importexport_binary.x / PWscf / Quantum ESPRESSO (version: 7.3)
Program: importexport_binary.x / PWscf / Quantum ESPRESSO (version: 7.3.1)
------------------------------------------------------------------------


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2 changes: 1 addition & 1 deletion PP/Doc/INPUT_OSCDFT_ET.html
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<tr><th style="margin: 3 3 3 10; background: #005789; background: linear-gradient(rgba(0,87,137,1),rgba(0,119,189,1)); color: #ffffee; ">
<h1 style="margin: 10 10 10 15; text-align: left;"> Input File Description </h1>
<h2 style="margin: 10 10 10 15; text-align: left;"> Program:
oscdft_et.x / PWscf / Quantum ESPRESSO<span style="font-weight: normal;"> (version: 7.3)</span>
oscdft_et.x / PWscf / Quantum ESPRESSO<span style="font-weight: normal;"> (version: 7.3.1)</span>
</h2>
</th></tr>
<tr><td style="padding: 10 3 3 3; background: #ffffff; color: #222222; ">
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2 changes: 1 addition & 1 deletion PP/Doc/INPUT_OSCDFT_ET.txt
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------------------------------------------------------------------------
INPUT FILE DESCRIPTION

Program: oscdft_et.x / PWscf / Quantum ESPRESSO (version: 7.3)
Program: oscdft_et.x / PWscf / Quantum ESPRESSO (version: 7.3.1)
------------------------------------------------------------------------


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2 changes: 1 addition & 1 deletion PP/Doc/INPUT_OSCDFT_PP.html
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<tr><th style="margin: 3 3 3 10; background: #005789; background: linear-gradient(rgba(0,87,137,1),rgba(0,119,189,1)); color: #ffffee; ">
<h1 style="margin: 10 10 10 15; text-align: left;"> Input File Description </h1>
<h2 style="margin: 10 10 10 15; text-align: left;"> Program:
oscdft_pp.x / PWscf / Quantum ESPRESSO<span style="font-weight: normal;"> (version: 7.3)</span>
oscdft_pp.x / PWscf / Quantum ESPRESSO<span style="font-weight: normal;"> (version: 7.3.1)</span>
</h2>
</th></tr>
<tr><td style="padding: 10 3 3 3; background: #ffffff; color: #222222; ">
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2 changes: 1 addition & 1 deletion PP/Doc/INPUT_OSCDFT_PP.txt
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------------------------------------------------------------------------
INPUT FILE DESCRIPTION

Program: oscdft_pp.x / PWscf / Quantum ESPRESSO (version: 7.3)
Program: oscdft_pp.x / PWscf / Quantum ESPRESSO (version: 7.3.1)
------------------------------------------------------------------------


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2 changes: 1 addition & 1 deletion PP/Doc/INPUT_PP.html
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<tr><th style="margin: 3 3 3 10; background: #005789; background: linear-gradient(rgba(0,87,137,1),rgba(0,119,189,1)); color: #ffffee; ">
<h1 style="margin: 10 10 10 15; text-align: left;"> Input File Description </h1>
<h2 style="margin: 10 10 10 15; text-align: left;"> Program:
pp.x / PWscf / Quantum ESPRESSO<span style="font-weight: normal;"> (version: 7.3)</span>
pp.x / PWscf / Quantum ESPRESSO<span style="font-weight: normal;"> (version: 7.3.1)</span>
</h2>
</th></tr>
<tr><td style="padding: 10 3 3 3; background: #ffffff; color: #222222; ">
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2 changes: 1 addition & 1 deletion PP/Doc/INPUT_PP.txt
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------------------------------------------------------------------------
INPUT FILE DESCRIPTION

Program: pp.x / PWscf / Quantum ESPRESSO (version: 7.3)
Program: pp.x / PWscf / Quantum ESPRESSO (version: 7.3.1)
------------------------------------------------------------------------


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2 changes: 1 addition & 1 deletion PP/Doc/INPUT_PPACF.html
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<tr><th style="margin: 3 3 3 10; background: #005789; background: linear-gradient(rgba(0,87,137,1),rgba(0,119,189,1)); color: #ffffee; ">
<h1 style="margin: 10 10 10 15; text-align: left;"> Input File Description </h1>
<h2 style="margin: 10 10 10 15; text-align: left;"> Program:
ppacf.x / PWscf / Quantum ESPRESSO<span style="font-weight: normal;"> (version: 7.3)</span>
ppacf.x / PWscf / Quantum ESPRESSO<span style="font-weight: normal;"> (version: 7.3.1)</span>
</h2>
</th></tr>
<tr><td style="padding: 10 3 3 3; background: #ffffff; color: #222222; ">
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2 changes: 1 addition & 1 deletion PP/Doc/INPUT_PPACF.txt
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------------------------------------------------------------------------
INPUT FILE DESCRIPTION

Program: ppacf.x / PWscf / Quantum ESPRESSO (version: 7.3)
Program: ppacf.x / PWscf / Quantum ESPRESSO (version: 7.3.1)
------------------------------------------------------------------------


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2 changes: 1 addition & 1 deletion PP/Doc/INPUT_PPRISM.html
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<tr><th style="margin: 3 3 3 10; background: #005789; background: linear-gradient(rgba(0,87,137,1),rgba(0,119,189,1)); color: #ffffee; ">
<h1 style="margin: 10 10 10 15; text-align: left;"> Input File Description </h1>
<h2 style="margin: 10 10 10 15; text-align: left;"> Program:
pprism.x / PWscf / Quantum ESPRESSO<span style="font-weight: normal;"> (version: 7.3)</span>
pprism.x / PWscf / Quantum ESPRESSO<span style="font-weight: normal;"> (version: 7.3.1)</span>
</h2>
</th></tr>
<tr><td style="padding: 10 3 3 3; background: #ffffff; color: #222222; ">
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2 changes: 1 addition & 1 deletion PP/Doc/INPUT_PPRISM.txt
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------------------------------------------------------------------------
INPUT FILE DESCRIPTION

Program: pprism.x / PWscf / Quantum ESPRESSO (version: 7.3)
Program: pprism.x / PWscf / Quantum ESPRESSO (version: 7.3.1)
------------------------------------------------------------------------


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2 changes: 1 addition & 1 deletion PP/Doc/INPUT_PROJWFC.html
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<tr><th style="margin: 3 3 3 10; background: #005789; background: linear-gradient(rgba(0,87,137,1),rgba(0,119,189,1)); color: #ffffee; ">
<h1 style="margin: 10 10 10 15; text-align: left;"> Input File Description </h1>
<h2 style="margin: 10 10 10 15; text-align: left;"> Program:
projwfc.x / PWscf / Quantum ESPRESSO<span style="font-weight: normal;"> (version: 7.3)</span>
projwfc.x / PWscf / Quantum ESPRESSO<span style="font-weight: normal;"> (version: 7.3.1)</span>
</h2>
</th></tr>
<tr><td style="padding: 10 3 3 3; background: #ffffff; color: #222222; ">
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2 changes: 1 addition & 1 deletion PP/Doc/INPUT_PROJWFC.txt
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------------------------------------------------------------------------
INPUT FILE DESCRIPTION

Program: projwfc.x / PWscf / Quantum ESPRESSO (version: 7.3)
Program: projwfc.x / PWscf / Quantum ESPRESSO (version: 7.3.1)
------------------------------------------------------------------------


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2 changes: 1 addition & 1 deletion PP/Doc/INPUT_bgw2pw.html
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<tr><th style="margin: 3 3 3 10; background: #005789; background: linear-gradient(rgba(0,87,137,1),rgba(0,119,189,1)); color: #ffffee; ">
<h1 style="margin: 10 10 10 15; text-align: left;"> Input File Description </h1>
<h2 style="margin: 10 10 10 15; text-align: left;"> Program:
bgw2pw.x / PWscf / Quantum ESPRESSO<span style="font-weight: normal;"> (version: 7.3)</span>
bgw2pw.x / PWscf / Quantum ESPRESSO<span style="font-weight: normal;"> (version: 7.3.1)</span>
</h2>
</th></tr>
<tr><td style="padding: 10 3 3 3; background: #ffffff; color: #222222; ">
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2 changes: 1 addition & 1 deletion PP/Doc/INPUT_bgw2pw.txt
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------------------------------------------------------------------------
INPUT FILE DESCRIPTION

Program: bgw2pw.x / PWscf / Quantum ESPRESSO (version: 7.3)
Program: bgw2pw.x / PWscf / Quantum ESPRESSO (version: 7.3.1)
------------------------------------------------------------------------


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2 changes: 1 addition & 1 deletion PP/Doc/INPUT_molecularpdos.html
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<tr><th style="margin: 3 3 3 10; background: #005789; background: linear-gradient(rgba(0,87,137,1),rgba(0,119,189,1)); color: #ffffee; ">
<h1 style="margin: 10 10 10 15; text-align: left;"> Input File Description </h1>
<h2 style="margin: 10 10 10 15; text-align: left;"> Program:
molecularpdos.x / PWscf / Quantum ESPRESSO<span style="font-weight: normal;"> (version: 7.3)</span>
molecularpdos.x / PWscf / Quantum ESPRESSO<span style="font-weight: normal;"> (version: 7.3.1)</span>
</h2>
</th></tr>
<tr><td style="padding: 10 3 3 3; background: #ffffff; color: #222222; ">
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