From e71ffa17fc15c3857f94a8b45aba5d96aec15b49 Mon Sep 17 00:00:00 2001
From: kokalj <kokalj@c92efa57-630b-4861-b058-cf58834340f0>
Date: Fri, 24 Feb 2017 14:17:35 +0000
Subject: [PATCH] adding lshift_q variable and new options for electron_phonon

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13349 c92efa57-630b-4861-b058-cf58834340f0
---
 GUI/PWgui/modules/ph/ph-help.tcl | 35 ++++++++++++++++++++++++++++++++
 GUI/PWgui/modules/ph/ph.tcl      | 13 ++++++++++--
 2 files changed, 46 insertions(+), 2 deletions(-)

diff --git a/GUI/PWgui/modules/ph/ph-help.tcl b/GUI/PWgui/modules/ph/ph-help.tcl
index 9716f81bb..b934f47e9 100644
--- a/GUI/PWgui/modules/ph/ph-help.tcl
+++ b/GUI/PWgui/modules/ph/ph-help.tcl
@@ -569,6 +569,21 @@ over the Brillouin Zone as in M. Wierzbowska, et
 al. "arXiv:cond-mat/0504077"
             </pre></dd>
 </dl>
+<dl style="margin-left: 1.5em;">
+<dt><tt><b>'lambda_tetra'</b> :</tt></dt>
+<dd><pre style="margin-top: 0em; margin-bottom: -1em;">
+The electron-phonon coefficient \lambda_{q \nu}
+is calculated with the optimized tetrahedron method.
+            </pre></dd>
+</dl>
+<dl style="margin-left: 1.5em;">
+<dt><tt><b>'gamma_tetra'</b> :</tt></dt>
+<dd><pre style="margin-top: 0em; margin-bottom: -1em;">
+The phonon linewidth \gamma_{q \nu} is calculated
+from the electron-phonon interactions
+using the optimized tetrahedron method.
+            </pre></dd>
+</dl>
 <pre>
 For metals only, requires gaussian smearing.
 
@@ -585,6 +600,26 @@ the use of a different (larger) k-point grid.
 }
 
 
+# ------------------------------------------------------------------------
+help lshift_q -helpfmt helpdoc -helptext {
+      <ul>
+<li> <em>Variable: </em><big><b>lshift_q</b></big>
+</li>
+<br><li> <em>Type: </em>LOGICAL</li>
+<br><li> <em>Default: </em> .false.
+         </li>
+<br><li> <em>Description:</em>
+</li>
+<blockquote><pre>
+Use a wave-vector grid displaced by half a grid step
+in each direction - meaningful only when ldisp is .true.
+When this option is set, the q2r.x code cannot be used.
+         </pre></blockquote>
+</ul>      
+      
+}
+
+
 # ------------------------------------------------------------------------
 help zeu -helpfmt helpdoc -helptext {
       <ul>
diff --git a/GUI/PWgui/modules/ph/ph.tcl b/GUI/PWgui/modules/ph/ph.tcl
index c5aaebd3d..82f85bfc6 100644
--- a/GUI/PWgui/modules/ph/ph.tcl
+++ b/GUI/PWgui/modules/ph/ph.tcl
@@ -129,9 +129,11 @@ module PH\#auto -title "PWSCF GUI: module PH.x" -script {
 		    -textvalue {
 			"electron-phonon lambda coefficients <simple>"
 			"electron-phonon by interpolation <interpolated>"
+			"el.-phon. lambda coeff. via opt.tetrahedron <lambda_tetra>"
+			"phonon linewidth via opt.tetrahedron <gamma_tetra>"
 		    }
-		    -value     {'simple' 'interpolated'}
-		    -widget    radiobox
+		    -value     {'simple' 'interpolated' 'lambda_tetra' 'gamma_tetra'}
+		    -widget    optionmenu
 		}
 		
 		var lrpa {
@@ -155,6 +157,13 @@ module PH\#auto -title "PWSCF GUI: module PH.x" -script {
 		    -widget    radiobox
 		}
 
+		var lshift_q {
+		    -label "Use a wave-vector half-step grid displaced (lshift_q):"
+		    -widget    radiobox
+		    -textvalue { Yes No }	      
+		    -value     { .true. .false. }
+		}
+
 		var zeu {
 		    -label     "Compute effective charges from the dielectric responses (zeu):"
 		    -textvalue {Yes No}