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 |
|
orca | |
| 5.1.1 |
|
goblin, orca, redfin, wobbie | |
| 5.4.0 |
|
goblin, orca, redfin | |
| 6.1 |
|
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.