STM + GAPW
Matt W
MattWa... at gmail.com
Tue Jul 5 10:53:05 UTC 2016
Hi everyone,
I'm trying to generate STM images with GAPW enabled - it dies with a
CP_ASSERT in qs_collocate_density (line 1629). Trivial test case attached.
I think for STM it should be safe just to use the soft density and make the
call at to calculate_rho_elec in stm_images (line 371) with the soft_valid
argument set to true in the GAPW case ... but I'm a little wary of hacking
GAPW stuff.
What do you think?
Matt
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