BSE interpolation

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jzwanzig
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BSE interpolation

Post by jzwanzig » Mon Jan 23, 2017 9:08 pm

Hi, I must be missing something obvious here--I am trying to reproduce data in Gillet, Giantomassi, and Gonze, CPC 203, 83 (2016). Doing a BSE calc with an 8x8x8 k pt mesh works and give an answer similar to the cited paper; doing 4x4x4 with bs_interp_mode 1, bs_interp_method 0, bs_interp_kmult 1 1 1 gives the 4x4x4 answer, while bs_interp_kmult 2 2 2 crashes my machine with an "insufficient virtual memory" error (same machine that runs 8x8x8 without interpolation fine. Any suggestions?

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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