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5:26 AM
posted on May 13, 2023 by adrea.snow

Hi all, I’m trying to perform some DFT optimisations with SMD + IEFPCM and am running into memory issues when using hybrid DFAs (specifically CAM-B3LYP and wB97X-D3, since the jobs will be extended to TDDFT, and these DFAs are the most appropriate). $rem MEM_STATIC 65536 MEM_TOTAL 262144 GUI 2 JOBTYPE OPT

 

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