[QE-users] (no subject) (Yang Liu)

[liuyang]

Dear Peshal Karki


I've run into similar situation when I did nscf calculation weeks ago. I also tried to play with ecutwfc, ecutrho etc, but made no differences. I see somewhere that diago_david_ndim in ELECTRONS card determines how many planes to use in diagonalization of the central equation system. Default value is 2. Then I tried to increase it to 4, 6, 8... and I found that warning getting less and less. With diago_david_ndim 12, all warnings disappeared. I thought the warning may be due to some numeric issues during the solution processes.  You can try it.


Regards


Yang Liu
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