[QE-users] GIPAW PP generation via ld1.x

human yaghoob nejad human.y84 at gmail.com
Thu May 6 21:45:28 CEST 2021


Greetings,
I was spending a few days reading guides and manuals for the generation of
norm-conserving PPs for the calculation of the g-tensor and hyperfine
splitting of EPR spectra using GIPAW module. I realized that the generation
of gauge-including PPs has not been discussed at length and all the
information is limited to the input guide of the ld1.x code. As I'm not an
expert in PP generation, I appreciate it greatly if someone with relevant
experience in making GIPAW PPs can provide an input as an example,
preferably with scalar relativistic or fully relativistic forms.

Thank you very much
Hooman Asl
Research Associate, University of Texas at Austin, Austin USA
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