[QE-users] Problem of HSE scf calculation with QE code

Lorenzo Paulatto paulatz at gmail.com
Fri Jul 10 10:17:33 CEST 2020


>           nqx1 = 1
>           nqx2 = 1
>           nqx3 = 1
Hello Greg,
these choce of parameters is cheap, but not very well converged. Did you 
try to use a finer grid for exchange?

cheers


-- 
Lorenzo Paulatto - Paris


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