Pls tell me how to switch to GGA pseudos (ixc=11 does not work)?
I set ixc=11 in the input file, but pseuydos are still LDA. Pls tell me how to switch to GGA pseudos.
Pls tell me how to switch to GGA pseudos (ixc=11 does not work)?
I set ixc=11 in the input file, but pseuydos are still LDA. Pls tell me how to switch to GGA pseudos.
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Benjamin P Haley @ on
I assume you are uploading your own input file. You may need to set GGA pseudopotentials in the main tool GUI, before uploading your input file. Launch the tool, navigate to the energy expression tab, set GGA, go back to
the beginning of the tool, select "Upload input file", then upload your file and run as before.
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