v18.03.0

This release adds the Wannier90 code and its AiiDA plugin to Quantum Mobile.

Installation instructions

Get Quantum Mobile running on your computer in three simple steps:

1. Download virtual machine image (4.3G)
   http://bit.ly/2FkxCSI
   MD5 hash: 6b5d8b03f66a94dc2286e2fdcdf4778f
2. Install Virtual Box 5.2.8 or later
   www.virtualbox.org
3. Import virtual machine image into Virtualbox (11G)
   File => Import Appliance

Note: username: max, password: moritz

Changelog

Improvements

• Add Wannier90 v2.1
• Add aiida-wannier90 v1.0.0

Build process

• VM image built using Virtualbox 5.2.8

Version Summary

The VM comes with:

• OS: Ubuntu 16.04.4 LTS, VirtualBox Guest Additions 5.2.8
• tools: torque, openmpi, xmgrace, gnuplot, xcrysden, jmol
• qm codes:
  • Quantum ESPRESSO v6.2.1
  • Yambo v4.2.1
  • fleur v0.27 MaXR2.1
  • siesta v4.0.1
  • cp2k v5.1
  • wannier90 v2.1
• aiida v0.11.0
  • aiida-quantumespresso v1.0.0
  • aiida-fleur v0.6.0
  • aiida-siesta v0.9.8
  • aiida-cp2k v0.7
  • aiida-yambo v0.2.4
  • aiida-wannier90 v1.0.0
• pseudopotentials
  • SSSP (PBE) accuracy v1.0
  • SSSP (PBE) efficiency v1.0
  • SG15 ONCV v1.1

Contact

Please direct inquiries regarding Quantum Mobile to the AiiDA mailinglist