BSE features in 8.2 and beyond

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jzwanzig
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BSE features in 8.2 and beyond

Post by jzwanzig » Mon Jan 23, 2017 8:22 pm

Hi, just wondering where the feature set for BSE calculations stands in 8.2 (which I guess should be released shortly?) and beyond. Specifically:

1) Support for NCPP's with multiple projectors (for example Hamann oncvpsp type)

2) Interpolation with PAW

3) Interpolation with parallelism

thanks,
Joe
Josef W. Zwanziger
Professor, Department of Chemistry
Canada Research Chair in NMR Studies of Materials
Dalhousie University
Halifax, NS B3H 4J3 Canada
jzwanzig@gmail.com
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