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ESPRESSO (Application)

Introduction

PWscf (Plane-Wave Self-Consistent Field) is a set of programs for electronic structure calculations within Density-Functional Theory and Density-Functional Perturbation Theory, using a Plane-Wave basis set and pseudopotentials. PWscf is released under the GNU General Public License

Availability Table

Version Default Module Systems
5.0.1 True orca
5.1.1 True goblin, orca, redfin, wobbie
5.4.0 True goblin, orca, redfin
6.1 True dusky, goblin, orca, redfin, tembo, vdi-centos6, viz10-uwo, viz8-uwo, wobbie

Documentation

https://www.sharcnet.ca/help/index.php/ESPRESSO

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Change Log

o Sep 21, 2017 : Installed espresso/6.1 to viz8-uwo, viz10-uwo and vdi-centos6.

o Jun 27, 2017 : Installed espresso/6.1 on dusky, goblin, orca, redfin, saw, tembo, wobbie.

o Jul 22, 2016 : Installed espresso/5.4.0 on brown, goblin, hound, orca, redfin, saw, wobbie.

o Jan 28, 2015 : Installed espresso/5.1.1 on brown, goblin, hound, orca, redfin, saw, wobbie.

o Sep 26, 2013 : Removed 4.2.1 from requin. Removed 4.3.1 from requin, goblin, kraken. Removed 5.0.1 from brown, redfin and hound.

o Jul 15, 2011 :Installed version 4.3.1 on hound, orca and saw.