[Wien] Wien2k data provenance

Taylor, Richard H. richard.taylor at nist.gov
Mon Dec 2 21:07:08 CET 2013


Dear Prof. Blaha and others,

I am attempting to work backward from a Wien2k working directory to fully describe the simulation provenance. I have run into some trouble in attempting to extract the  core/valence cuttoff value (default set to -6.0 Ry). I assume this should be recorded somewhere but I have had no luck finding it. Any direction would be appreciated.

Regards,
Richard Taylor

--
Richard Taylor, PhD
National Institute of Standards and Technology
Tel: (301) 975-5122



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