basis sets of Na and Al
Liang Yunfeng
liangy... at gmail.com
Sun Oct 9 10:47:41 UTC 2016
Dear All,
Could someone kindly share with me the DZVP basis sets of Na and Al, which
are optimized for the GTH pseudopotential and the PBE exchange-correlation
functional (Na: GTH-PBE-q9; Al: GTH-PBE-q3)?
I could not find them in the default "BASIS_SET".
Thanks a lot
Sincerely, Yunfeng
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