[Pw_forum] ultrasoft pseudopotential and direct space analysis

[ski2 at mail.uh.edu]

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Dear users and
developers,

>From the Pw_forum
Archives, I learned ultrasoft PPs may not be desirable for ELF analysis due to small
amount of electron density loss from augmentation charges.

So, I am wondering whether
or not using USPPs is a safe choice for direct space analysis associated with spin
polarization density.
Best regards,Sang-Hwan Kim (postdoc)


Department of Chemistry
University of Houston
136 Fleming Building
Houston, TX 77204-5003
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