Difference between revisions of "Wannier90"

Revision as of 15:42, 1 May 2017

Description

Wannier90 computes Maximally-Localised Wannier Functions (MLWF) following the method of Marzari and Vanderbilt (MV). For entangled energy bands, the method of Souza, Marzari and Vanderbilt (SMV) is used.

Versions

       wannier90/1.2
       wannier90/2.0.0
       wannier90/2.1.0

Required Modules

modules documentation

Parallel

intel/2013 or intel/2017
openmpi: available versions

     intel/2013.sp1.3.174 openmpi/1.6.5
     intel/2017.1.132  openmpi/1.10.2
     intel/2017.1.132  openmpi/2.0.1

{{#lowercase:wannier90}}

System Variables

HPC_{{#uppercase:wannier90}}_DIR - installation directory
HPC_{{#uppercase:wannier90}}_BIN - executable program directory
HPC_{{#uppercase:wannier90}}_LIB - library directory

@@ Line 19: / Line 19: @@
 Wannier90 computes Maximally-Localised Wannier Functions (MLWF) following the method of Marzari and Vanderbilt (MV). For entangled energy bands, the method of Souza, Marzari and Vanderbilt (SMV) is used.
+==Versions==
+----
+        wannier90/1.2
+        wannier90/2.0.0
+        wannier90/2.1.0
 <!--Modules-->
@@ Line 24: / Line 30: @@
 [[Modules|modules documentation]]
 ===Parallel===
-* intel/2013
+* intel/2013 or intel/2017
-* openmpi
+* openmpi: available versions
+----
+      intel/2013.sp1.3.174 openmpi/1.6.5
+      intel/2017.1.132  openmpi/1.10.2
+      intel/2017.1.132  openmpi/2.0.1
 * {{#lowercase:{{#var:app}}}}
 ==System Variables==