[QE-users] QE GPU + metaGGA

Lorenzo Monacelli lorenzo.monacelli at roma1.infn.it
Thu May 13 17:06:31 CEST 2021


Dear QE Users,

Has the GPU version of quantum espresso 6.7 been tested on metaGGA 
functionals for total energy, forces and stress tensor calculations?

Does it require some peculiar effort more than the GPU version to 
compile it with libxc support?

Thanks for the attention,

Best regards,

Lorenzo Monacelli



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