Merging last changes into master 30/11/2020

QEF · Nov 30, 2020 · a34dabb · a34dabb
2 parents dd124e0 + aaecd43
commit a34dabb
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Showing 3 changed files with 11 additions and 11 deletions.
diff --git a/PW/Doc/INPUT_PW.def b/PW/Doc/INPUT_PW.def
@@ -1197,17 +1197,17 @@ input_description -distribution {Quantum Espresso} -package PWscf -program pw.x
             options {
                 info { Specifies the type of calculation: }
 
-                opt -val 0 {
+                opt -val { lda_plus_u_kind = 0 } {
                     DFT+U simplified version of Cococcioni and de Gironcoli, 
                     PRB 71, 035105 (2005), using @ref Hubbard_U
                 }
 
-                opt -val 1 {                
+                opt -val { lda_plus_u_kind = 1 } {                
                     DFT+U rotationally invariant scheme of Liechtenstein et al., 
                     using @ref Hubbard_U and @ref Hubbard_J
                 }
 
-                opt -val 2 {
+                opt -val { lda_plus_u_kind = 2 } {
                     DFT+U+V simplified version of Campo Jr and Cococcioni,
                     J. Phys.: Condens. Matter 22, 055602 (2010), doi:10.1088/0953-8984/22/5/055602,
                     using @ref Hubbard_V

diff --git a/PW/Doc/INPUT_PW.html b/PW/Doc/INPUT_PW.html
@@ -1936,21 +1936,21 @@ <h3>TABLE OF CONTENTS</h3>
 <pre style="margin-bottom: -1em;"> Specifies the type of calculation:
             </pre>
 <dl style="margin-left: 1.5em;">
-<dt><tt><span class="flag">0</span> :</tt></dt>
+<dt><tt><span class="flag">lda_plus_u_kind = 0</span> :</tt></dt>
 <dd><pre style="margin-top: 0em; margin-bottom: -1em;">
 DFT+U simplified version of Cococcioni and de Gironcoli,
 <a href="https://journals.aps.org/prb/abstract/10.1103/PhysRevB.71.035105">PRB 71, 035105 (2005)</a>, using <a href="#Hubbard_U">Hubbard_U</a>
             </pre></dd>
 </dl>
 <dl style="margin-left: 1.5em;">
-<dt><tt><span class="flag">1</span> :</tt></dt>
+<dt><tt><span class="flag">lda_plus_u_kind = 1</span> :</tt></dt>
 <dd><pre style="margin-top: 0em; margin-bottom: -1em;">
 DFT+U rotationally invariant scheme of Liechtenstein et al.,
 using <a href="#Hubbard_U">Hubbard_U</a> and <a href="#Hubbard_J">Hubbard_J</a>
             </pre></dd>
 </dl>
 <dl style="margin-left: 1.5em;">
-<dt><tt><span class="flag">2</span> :</tt></dt>
+<dt><tt><span class="flag">lda_plus_u_kind = 2</span> :</tt></dt>
 <dd><pre style="margin-top: 0em; margin-bottom: -1em;">
 DFT+U+V simplified version of Campo Jr and Cococcioni,
 J. Phys.: Condens. Matter 22, 055602 (2010), <a href="http://dx.doi.org/10.1088/0953-8984/22/5/055602">doi:10.1088/0953-8984/22/5/055602</a>,
@@ -5568,7 +5568,7 @@ <h3>Description of items:</h3>
 </td></tr>
 </table>
 <small>
-	  This file has been created by helpdoc utility on Sat Nov 28 21:53:08 CET 2020.
+	  This file has been created by helpdoc utility on Sun Nov 29 22:25:25 CET 2020.
 	</small>
 </body>
 </html>
diff --git a/PW/Doc/INPUT_PW.txt b/PW/Doc/INPUT_PW.txt
@@ -1235,15 +1235,15 @@ NAMELIST: &SYSTEM
    Description:   
                    Specifies the type of calculation:
 
-                   0 :
+                   lda_plus_u_kind = 0  :
                         DFT+U simplified version of Cococcioni and de Gironcoli,
                         PRB 71, 035105 (2005), using "Hubbard_U"
 
-                   1 :
+                   lda_plus_u_kind = 1  :
                         DFT+U rotationally invariant scheme of Liechtenstein et al.,
                         using "Hubbard_U" and "Hubbard_J"
 
-                   2 :
+                   lda_plus_u_kind = 2  :
                         DFT+U+V simplified version of Campo Jr and Cococcioni,
                         J. Phys.: Condens. Matter 22, 055602 (2010), doi:10.1088/0953-8984/22/5/055602,
                         using "Hubbard_V"
@@ -3549,4 +3549,4 @@ CARD: ATOMIC_FORCES
 ===END OF CARD==========================================================
 
 
-This file has been created by helpdoc utility on Sat Nov 28 21:53:08 CET 2020
+This file has been created by helpdoc utility on Sun Nov 29 22:25:25 CET 2020