Large-Scale Condensed Matter DFT Simulations: Performance and Capabilities of the CRYSTAL Code
Author:
Affiliation:
1. Dipartimento di Chimica, Università di Torino, Via Giuria 5, 10125 Torino, Italy
2. Oxford e-Research Centre, University of Oxford, 7 Keble Road, OX1 3QG, Oxford, U.K.
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.7b00687
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