Deal QE Users
I have the following Pseudo Potential files for Ti. in all file what i
observed is
Suggested minimum cutoff for wavefunctions : 0 Ry
Suggested minimum cutoff for charge density: 0 Ry
why these values are zero?
then for calculation what value for wfc and rho is reliable? (if i want to
use any of these)
*List of Pseudo potential files *
Ti.blyp-sp-hgh.UPF Ti.blyp-sp-van_ak.UPF Ti.bp-sp-van_ak.UPF
Ti.pbe-mt_fhi.UPF Ti.pbe-sp-van_ak.UPF Ti.pw91-nsp-van.UPF
Ti.pw-mt_fhi.UPF Ti.pz-hgh.UPF Ti.pw91-sp-van_ak.UPF
Ti.pz-mt_fhi.UPF Ti.pz-sp-van.UPF Ti.pz-sp-van_ak.UPF
thank you
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Muthu.V
Madurai Kamaraj University
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