Dear PWSCF users, I'd like to run a test-system with a KCl monolayer on a copper surface. In the PWSCF pseudopotential library it seems options are somewhat narrow, namely PZ or BLYP, and no ultrasoft pseudos which can match both elements. I'd just like to know if someone else has ever used any ultrasoft approach for potassium chloride, with pseudos which are maybe not reported in the library. If not, would you deem 80 ryd a relatively safe cutoff for either the BLYP and the PZ norm-conserving pseudos? Anyway I'll run some tests on both, to check which combination better suits my needs.... Thanks a lot, Giacomo Levita (MPI Stuttgart- abt. Kern)
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