[WARNING] Found non closed shells
Posted: Wed Feb 23, 2022 4:55 am
Dear developers,
I found a warning message in the initial step as in the r_setup as:
[02.03] Reciprocal space
========================
[WARNING] Found non closed shells. Max cutoff will be reduced.
Full and reduced cutoff: 35821.3 140000. [mHa]
I used ONCV pseudopotentials. I think this would affect the final results and how to solve this problem?
Thanks!
Shudong
I found a warning message in the initial step as in the r_setup as:
[02.03] Reciprocal space
========================
[WARNING] Found non closed shells. Max cutoff will be reduced.
Full and reduced cutoff: 35821.3 140000. [mHa]
I used ONCV pseudopotentials. I think this would affect the final results and how to solve this problem?
Thanks!
Shudong