Re: [QE-users] DFT+U - error when using the pseudopotential projectors

2022-12-07 Thread Iurii TIMROV via users
Dear Thomas, > Does anyone ever used the pseudo projectors? I have been interested in this well, but I did not have time to play with it. As far as I know, this type of projectors and the corresponding code are rarely used and it might be that something has been broken over the years, but I a

[QE-users] DFT+U - error when using the pseudopotential projectors

2022-12-07 Thread Thomas Brumme
Dear all, I wanted to try different projectors in my calculations in order to estimate their influence and also to see if this could explain certain differences we see in comparison with VASP calculations. I will paste the input file below. Now, in order to use the pseudos of the pslibary and