version set to 7.0

This commit is contained in:
Tone Kokalj 2021-12-18 20:16:18 +01:00
parent 0d85666bc1
commit a7733a017d
16 changed files with 91 additions and 54 deletions

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@ -46,7 +46,7 @@
<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: 6.8)</span>
bands.x / PWscf / Quantum Espresso<span style="font-weight: normal;"> (version: 7.0)</span>
</h2>
</th></tr>
<tr><td style="padding: 10 3 3 3; background: #ffffff; color: #222222; ">
@ -284,7 +284,7 @@ points between firstk to lastk
</td></tr>
</table>
<small>
This file has been created by helpdoc utility on Fri Jul 16 11:56:11 CEST 2021.
This file has been created by helpdoc utility on Sat Dec 18 20:08:46 CET 2021.
</small>
</body>
</html>

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@ -3,7 +3,7 @@
------------------------------------------------------------------------
INPUT FILE DESCRIPTION
Program: bands.x / PWscf / Quantum Espresso (version: 6.8)
Program: bands.x / PWscf / Quantum Espresso (version: 7.0)
------------------------------------------------------------------------
@ -157,4 +157,4 @@ NAMELIST: &BANDS
===END OF NAMELIST======================================================
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@ -46,7 +46,7 @@
<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: 6.8)</span>
dos.x / PWscf / Quantum Espresso<span style="font-weight: normal;"> (version: 7.0)</span>
</h2>
</th></tr>
<tr><td style="padding: 10 3 3 3; background: #ffffff; color: #222222; ">
@ -290,7 +290,7 @@ Gaussian broadening is used in all other cases:
</td></tr>
</table>
<small>
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This file has been created by helpdoc utility on Sat Dec 18 20:08:46 CET 2021.
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@ -3,7 +3,7 @@
------------------------------------------------------------------------
INPUT FILE DESCRIPTION
Program: dos.x / PWscf / Quantum Espresso (version: 6.8)
Program: dos.x / PWscf / Quantum Espresso (version: 7.0)
------------------------------------------------------------------------
@ -161,4 +161,4 @@ NAMELIST: &DOS
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This file has been created by helpdoc utility on Sat Dec 18 20:08:46 CET 2021

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@ -46,7 +46,7 @@
<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: 6.8)</span>
importexport_binary.x / PWscf / Quantum Espresso<span style="font-weight: normal;"> (version: 7.0)</span>
</h2>
</th></tr>
<tr><td style="padding: 10 3 3 3; background: #ffffff; color: #222222; ">
@ -199,7 +199,7 @@ post-processing ones) may need them.
</td></tr>
</table>
<small>
This file has been created by helpdoc utility on Fri Jul 16 11:56:12 CEST 2021.
This file has been created by helpdoc utility on Sat Dec 18 20:08:47 CET 2021.
</small>
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@ -3,7 +3,7 @@
------------------------------------------------------------------------
INPUT FILE DESCRIPTION
Program: importexport_binary.x / PWscf / Quantum Espresso (version: 6.8)
Program: importexport_binary.x / PWscf / Quantum Espresso (version: 7.0)
------------------------------------------------------------------------
@ -101,4 +101,4 @@ NAMELIST: &INPUTPP
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@ -46,7 +46,7 @@
<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: 6.8)</span>
pp.x / PWscf / Quantum Espresso<span style="font-weight: normal;"> (version: 7.0)</span>
</h2>
</th></tr>
<tr><td style="padding: 10 3 3 3; background: #ffffff; color: #222222; ">
@ -885,7 +885,7 @@ theta(j) = pi * (j - 1)/(ny-1), j=1, ny
</td></tr>
</table>
<small>
This file has been created by helpdoc utility on Fri Jul 16 11:56:11 CEST 2021.
This file has been created by helpdoc utility on Sat Dec 18 20:08:46 CET 2021.
</small>
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@ -3,7 +3,7 @@
------------------------------------------------------------------------
INPUT FILE DESCRIPTION
Program: pp.x / PWscf / Quantum Espresso (version: 6.8)
Program: pp.x / PWscf / Quantum Espresso (version: 7.0)
------------------------------------------------------------------------
@ -608,4 +608,4 @@ NAMELIST: &PLOT
===END OF NAMELIST======================================================
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@ -46,7 +46,7 @@
<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: 6.8)</span>
projwfc.x / PWscf / Quantum Espresso<span style="font-weight: normal;"> (version: 7.0)</span>
</h2>
</th></tr>
<tr><td style="padding: 10 3 3 3; background: #ffffff; color: #222222; ">
@ -58,13 +58,13 @@
<p><a href="#idm3">INTRODUCTION</a></p>
<p><a href="#idm8">&amp;PROJWFC</a></p>
<blockquote>
<a href="#idm9">prefix</a> | <a href="#idm13">outdir</a> | <a href="#idm17">ngauss</a> | <a href="#idm20">degauss</a> | <a href="#idm24">Emin</a> | <a href="#idm25">Emax</a> | <a href="#idm28">DeltaE</a> | <a href="#idm30">lsym</a> | <a href="#idm35">pawproj</a> | <a href="#idm40">filpdos</a> | <a href="#idm44">filproj</a> | <a href="#idm47">lwrite_overlaps</a> | <a href="#idm51">lbinary_data</a> | <a href="#idm55">kresolveddos</a> | <a href="#idm59">tdosinboxes</a> | <a href="#idm68">n_proj_boxes</a> | <a href="#idm71">irmin(3,n_proj_boxes)</a> | <a href="#idm77">irmax(3,n_proj_boxes)</a> | <a href="#idm83">plotboxes</a>
<a href="#idm9">prefix</a> | <a href="#idm13">outdir</a> | <a href="#idm17">ngauss</a> | <a href="#idm20">degauss</a> | <a href="#idm24">Emin</a> | <a href="#idm25">Emax</a> | <a href="#idm28">DeltaE</a> | <a href="#idm30">lsym</a> | <a href="#idm35">diag_basis</a> | <a href="#idm40">pawproj</a> | <a href="#idm45">filpdos</a> | <a href="#idm49">filproj</a> | <a href="#idm52">lwrite_overlaps</a> | <a href="#idm56">lbinary_data</a> | <a href="#idm60">kresolveddos</a> | <a href="#idm64">tdosinboxes</a> | <a href="#idm73">n_proj_boxes</a> | <a href="#idm76">irmin(3,n_proj_boxes)</a> | <a href="#idm82">irmax(3,n_proj_boxes)</a> | <a href="#idm88">plotboxes</a>
</blockquote>
<p><a href="#idm88">Notes</a></p>
<blockquote><a href="#idm89">Format of output files</a></blockquote>
<blockquote><a href="#idm93">Orbital Order</a></blockquote>
<blockquote><a href="#idm95">Defining boxes for the Local DOS(E)</a></blockquote>
<blockquote><a href="#idm104">Important notices</a></blockquote>
<p><a href="#idm93">Notes</a></p>
<blockquote><a href="#idm94">Format of output files</a></blockquote>
<blockquote><a href="#idm98">Orbital Order</a></blockquote>
<blockquote><a href="#idm100">Defining boxes for the Local DOS(E)</a></blockquote>
<blockquote><a href="#idm109">Important notices</a></blockquote>
</blockquote>
</blockquote>
<blockquote>
@ -196,7 +196,29 @@ if <b>.false.</b> the projections are not symmetrized, the partial
</pre></blockquote></td></tr>
</table>
<div align="right" style="margin-bottom: 5;">[<a href="#__top__">Back to Top</a>]</div>
<a name="idm35"></a><a name="pawproj"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<a name="idm35"></a><a name="diag_basis"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<tr>
<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">diag_basis</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">LOGICAL</td>
</tr>
<tr>
<td style="text-align: right; vertical-align: top; background: #ffffc3; padding: 2 10 2 10; "><i>Default:</i></td>
<td style="text-align: left; vertical-align: top; background: #fff3d9; padding: 2 2 2 5; "> .false.
</td>
</tr>
<tr><td align="left" valign="top" colspan="2"><blockquote><pre style="margin-bottom: -1em;">
if <b>.false.</b> the projections of Kohn-Sham states are
done on the orthogonalized atomic orbitals
in the global XYZ coordinate frame.
if <b>.true.</b> the projections of Kohn-Sham states are
done on the orthogonalized atomic orbitals
that are rotated to the basis in which the
atomic occupation matrix is diagonal
(i.e. local XYZ coordinate frame).
</pre></blockquote></td></tr>
</table>
<div align="right" style="margin-bottom: 5;">[<a href="#__top__">Back to Top</a>]</div>
<a name="idm40"></a><a name="pawproj"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<tr>
<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">pawproj</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">LOGICAL</td>
@ -216,7 +238,7 @@ Only for PAW, not implemented in the noncolinear case.
</pre></blockquote></td></tr>
</table>
<div align="right" style="margin-bottom: 5;">[<a href="#__top__">Back to Top</a>]</div>
<a name="idm40"></a><a name="filpdos"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<a name="idm45"></a><a name="filpdos"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<tr>
<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">filpdos</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">CHARACTER</td>
@ -230,7 +252,7 @@ Only for PAW, not implemented in the noncolinear case.
</pre></blockquote></td></tr>
</table>
<div align="right" style="margin-bottom: 5;">[<a href="#__top__">Back to Top</a>]</div>
<a name="idm44"></a><a name="filproj"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<a name="idm49"></a><a name="filproj"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<tr>
<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">filproj</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">CHARACTER</td>
@ -245,7 +267,7 @@ file containing the projections
</pre></blockquote></td></tr>
</table>
<div align="right" style="margin-bottom: 5;">[<a href="#__top__">Back to Top</a>]</div>
<a name="idm47"></a><a name="lwrite_overlaps"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<a name="idm52"></a><a name="lwrite_overlaps"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<tr>
<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">lwrite_overlaps</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">LOGICAL</td>
@ -263,7 +285,7 @@ diagonalization: run as "mpirun -np N projwfc.x -nd 1 ... "
</pre></blockquote></td></tr>
</table>
<div align="right" style="margin-bottom: 5;">[<a href="#__top__">Back to Top</a>]</div>
<a name="idm51"></a><a name="lbinary_data"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<a name="idm56"></a><a name="lbinary_data"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<tr>
<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">lbinary_data</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">LOGICAL</td>
@ -279,7 +301,7 @@ Currently disabled.
</pre></blockquote></td></tr>
</table>
<div align="right" style="margin-bottom: 5;">[<a href="#__top__">Back to Top</a>]</div>
<a name="idm55"></a><a name="kresolveddos"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<a name="idm60"></a><a name="kresolveddos"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<tr>
<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">kresolveddos</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">LOGICAL</td>
@ -296,7 +318,7 @@ In this case all k-point weights are set to unity
</pre></blockquote></td></tr>
</table>
<div align="right" style="margin-bottom: 5;">[<a href="#__top__">Back to Top</a>]</div>
<a name="idm59"></a><a name="tdosinboxes"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<a name="idm64"></a><a name="tdosinboxes"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<tr>
<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">tdosinboxes</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">LOGICAL</td>
@ -317,7 +339,7 @@ from <a href="#irmin">irmin</a>(j,n) to <a href="#irmax">irmax</a>(j,n) for j=1,
</pre></blockquote></td></tr>
</table>
<div align="right" style="margin-bottom: 5;">[<a href="#__top__">Back to Top</a>]</div>
<a name="idm68"></a><a name="n_proj_boxes"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<a name="idm73"></a><a name="n_proj_boxes"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<tr>
<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">n_proj_boxes</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">INTEGER</td>
@ -332,7 +354,7 @@ number of boxes where the local DOS is computed
</pre></blockquote></td></tr>
</table>
<div align="right" style="margin-bottom: 5;">[<a href="#__top__">Back to Top</a>]</div>
<a name="idm71"></a><a name="irmin"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<a name="idm76"></a><a name="irmin"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<tr>
<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">irmin(3,n_proj_boxes)</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">INTEGER</td>
@ -349,7 +371,7 @@ BEWARE: <a href="#irmin">irmin</a> is a 2D array of the form: <a href="#irmin">i
</pre></blockquote></td></tr>
</table>
<div align="right" style="margin-bottom: 5;">[<a href="#__top__">Back to Top</a>]</div>
<a name="idm77"></a><a name="irmax"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<a name="idm82"></a><a name="irmax"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<tr>
<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">irmax(3,n_proj_boxes)</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">INTEGER</td>
@ -367,7 +389,7 @@ BEWARE: <a href="#irmax">irmax</a> is a 2D array of the form: <a href="#irmax">i
</pre></blockquote></td></tr>
</table>
<div align="right" style="margin-bottom: 5;">[<a href="#__top__">Back to Top</a>]</div>
<a name="idm83"></a><a name="plotboxes"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<a name="idm88"></a><a name="plotboxes"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<tr>
<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">plotboxes</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">LOGICAL</td>
@ -387,9 +409,9 @@ if <b>.true.,</b> the boxes are written in output as <b>xsf</b> files with
</td></tr></tbody></table></td></tr>
</table>
<blockquote>
<a name="idm88"><h3>Notes</h3></a>
<a name="idm93"><h3>Notes</h3></a>
<blockquote>
<a name="idm89"><h4>Format of output files</h4></a>
<a name="idm94"><h4>Format of output files</h4></a>
<blockquote><pre>
Projections are written to standard output, and also to file
<a href="#filproj">filproj</a> if given as input.
@ -443,7 +465,7 @@ All DOS(E) are in states/eV plotted vs E in eV
</pre></blockquote>
</blockquote>
<blockquote>
<a name="idm93"><h4>Orbital Order</h4></a>
<a name="idm98"><h4>Orbital Order</h4></a>
<blockquote><pre>
Order of m-components for each l in the output:
@ -466,7 +488,7 @@ for l=2:
</pre></blockquote>
</blockquote>
<blockquote>
<a name="idm95"><h4>Defining boxes for the Local DOS(E)</h4></a>
<a name="idm100"><h4>Defining boxes for the Local DOS(E)</h4></a>
<blockquote><pre>
Boxes are specified using the variables <a href="#irmin">irmin</a> and <a href="#irmax">irmax</a>:
@ -483,7 +505,7 @@ and from irmin to nr1/2/3.
</pre></blockquote>
</blockquote>
<blockquote>
<a name="idm104"><h4>Important notices</h4></a>
<a name="idm109"><h4>Important notices</h4></a>
<blockquote><pre>
The tetrahedron method is used if
@ -515,7 +537,7 @@ Obsolete variables, ignored:
</td></tr>
</table>
<small>
This file has been created by helpdoc utility on Fri Jul 16 11:56:11 CEST 2021.
This file has been created by helpdoc utility on Sat Dec 18 20:08:46 CET 2021.
</small>
</body>
</html>

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@ -3,7 +3,7 @@
------------------------------------------------------------------------
INPUT FILE DESCRIPTION
Program: projwfc.x / PWscf / Quantum Espresso (version: 6.8)
Program: projwfc.x / PWscf / Quantum Espresso (version: 7.0)
------------------------------------------------------------------------
@ -89,6 +89,21 @@ NAMELIST: &PROJWFC
DOS can be computed only in the k-resolved case
+--------------------------------------------------------------------
+--------------------------------------------------------------------
Variable: diag_basis
Type: LOGICAL
Default: .false.
Description: if .false. the projections of Kohn-Sham states are
done on the orthogonalized atomic orbitals
in the global XYZ coordinate frame.
if .true. the projections of Kohn-Sham states are
done on the orthogonalized atomic orbitals
that are rotated to the basis in which the
atomic occupation matrix is diagonal
(i.e. local XYZ coordinate frame).
+--------------------------------------------------------------------
+--------------------------------------------------------------------
Variable: pawproj
@ -331,4 +346,4 @@ NAMELIST: &PROJWFC
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This file has been created by helpdoc utility on Sat Dec 18 20:08:46 CET 2021

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@ -46,7 +46,7 @@
<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: 6.8)</span>
bgw2pw.x / PWscf / Quantum Espresso<span style="font-weight: normal;"> (version: 7.0)</span>
</h2>
</th></tr>
<tr><td style="padding: 10 3 3 3; background: #ffffff; color: #222222; ">
@ -223,7 +223,7 @@ name of BerkeleyGW RHO input file. Not used if <a href="#rhog_flag">rhog_flag</a
</td></tr>
</table>
<small>
This file has been created by helpdoc utility on Fri Jul 16 11:56:12 CEST 2021.
This file has been created by helpdoc utility on Sat Dec 18 20:08:46 CET 2021.
</small>
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@ -3,7 +3,7 @@
------------------------------------------------------------------------
INPUT FILE DESCRIPTION
Program: bgw2pw.x / PWscf / Quantum Espresso (version: 6.8)
Program: bgw2pw.x / PWscf / Quantum Espresso (version: 7.0)
------------------------------------------------------------------------
@ -107,4 +107,4 @@ NAMELIST: &INPUT_BGW2PW
===END OF NAMELIST======================================================
This file has been created by helpdoc utility on Fri Jul 16 11:56:12 CEST 2021
This file has been created by helpdoc utility on Sat Dec 18 20:08:46 CET 2021

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@ -46,7 +46,7 @@
<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: 6.8)</span>
molecularpdos.x / PWscf / Quantum Espresso<span style="font-weight: normal;"> (version: 7.0)</span>
</h2>
</th></tr>
<tr><td style="padding: 10 3 3 3; background: #ffffff; color: #222222; ">
@ -384,7 +384,7 @@ All DOS(E) are in states/eV plotted vs E in eV
</td></tr>
</table>
<small>
This file has been created by helpdoc utility on Fri Jul 16 11:56:12 CEST 2021.
This file has been created by helpdoc utility on Sat Dec 18 20:08:47 CET 2021.
</small>
</body>
</html>

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@ -3,7 +3,7 @@
------------------------------------------------------------------------
INPUT FILE DESCRIPTION
Program: molecularpdos.x / PWscf / Quantum Espresso (version: 6.8)
Program: molecularpdos.x / PWscf / Quantum Espresso (version: 7.0)
------------------------------------------------------------------------
@ -223,4 +223,4 @@ NAMELIST: &INPUTMOPDOS
This file has been created by helpdoc utility on Fri Jul 16 11:56:12 CEST 2021
This file has been created by helpdoc utility on Sat Dec 18 20:08:47 CET 2021

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@ -46,7 +46,7 @@
<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:
pw2bgw.x / PWscf / Quantum Espresso<span style="font-weight: normal;"> (version: 6.8)</span>
pw2bgw.x / PWscf / Quantum Espresso<span style="font-weight: normal;"> (version: 7.0)</span>
</h2>
</th></tr>
<tr><td style="padding: 10 3 3 3; background: #ffffff; color: #222222; ">
@ -705,7 +705,7 @@ Not used if <a href="#vkbg_flag">vkbg_flag</a> = .FALSE.
</td></tr>
</table>
<small>
This file has been created by helpdoc utility on Fri Jul 16 11:56:12 CEST 2021.
This file has been created by helpdoc utility on Sat Dec 18 20:08:46 CET 2021.
</small>
</body>
</html>

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@ -3,7 +3,7 @@
------------------------------------------------------------------------
INPUT FILE DESCRIPTION
Program: pw2bgw.x / PWscf / Quantum Espresso (version: 6.8)
Program: pw2bgw.x / PWscf / Quantum Espresso (version: 7.0)
------------------------------------------------------------------------
@ -383,4 +383,4 @@ NAMELIST: &INPUT_PW2BGW
===END OF NAMELIST======================================================
This file has been created by helpdoc utility on Fri Jul 16 11:56:12 CEST 2021
This file has been created by helpdoc utility on Sat Dec 18 20:08:46 CET 2021