The delta self-consistent field (DeltaSCF) method is now available in CONQUEST, added by David Bowler and Umberto Terranova. The code has been committed as r161, and full details have been published[1].

[1] J. Comput. Theor. Chem. 9, 3181 (2013) DOI:10.1021/ct400356k

This entry was posted on 2013/3/7.

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