Dear Expertise
The suggested values of the ecutrho and ecutwfc are making my calculation
expensive. For instance, in the pseudo potential file of Bi,
Bi.pbe-dn-kjpaw_psl.1.0.0.UPF
<https://www.quantum-espresso.org/upf_files/Bi.pbe-dn-kjpaw_psl.1.0.0.UPF>,
these are:
Suggested minimum cutoff for wavefunctions: 45. Ry
Suggested minimum cutoff for charge density: 455. Ry
Is there any problem if I use less values than these as much as the total
energy of the system converges?
Thank you in advance for your response.
With Regards
--
Endale Abebe
Program coordinator and Lecturer
Faculty of Materials Science and Engineering
Jimma Institute of Technology
Jimma University
P.O.Box 378, Jimma, Ethiopia
Mobile: +251921381598
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