Release 1.61.0 is available
Forum rules
You must be a registered user to post in this forum. Registered users may also post new topics if they consider that their subject does not correspond to any topic already present on the forum.
You must be a registered user to post in this forum. Registered users may also post new topics if they consider that their subject does not correspond to any topic already present on the forum.
-
fgygi
- Site Admin
- Posts: 167
- Joined: Tue Jun 17, 2008 7:03 pm
Release 1.61.0 is available
Qbox 1.61.0 is available, featuring the new Optimized Norm-Conserving Vanderbilt (ONCV) pseudopotentials. See the Qbox home page http://eslab.ucdavis.edu/software/qbox. The SG15 table of ONCV pseudopotentials is available at http://www.quantum-simulation.org. Note that the XML Schema file species.xsd has been updated to properly validate the new ONCV potentials. The arXiv paper http://arxiv.org/abs/1502.00995 (accepted for publication in Computer Physics Communications) describes the procedure used to generate the SG15 table of potentials.