On 12/13/23 01:49, Saiyed Tasnim Md Fahim wrote:
I am getting the following error:
I am getting a different one with your data:
Error in routine average_pp (1):
Fully relativistic PPs, need spin-orbit calc. (lspinorb=.true.)
Paolo
--
Paolo Giannozzi, DMIF, Univ. Udine, Italy
***
Hello
It might be a problem reading one of the pseudopotential files. Could you check
that they are regularly terminated?
From: users on behalf of Saiyed
Tasnim Md Fahim
Sent: Wednesday, December 13, 2023 01:49
To: users@lists.quantum-espresso.org
Subject:
