[QE-users] Atomic code: writing the l-dependent pseudopotentials

Dear All, To make more specific my question in my previous post to the list, the question is posed in a clearer way: According to the paper K. Laasonen et al, PRB47 (16), 10142(1993) , the USPP is fully determined by the quantities: V_{loc}^{ion}(r), D_{nm}^{(0)}, Q_{nm}(r), and beta_n(r). I

[QE-users] atomic code: writing the local l-dependent potentials

Dear All, Kindly, using the atomic code for pseudopotential generation, I would like to add a line in some subroutine of atomic code to write as two-column l-dependent files of V_l(r) in the summation: sum_{l,m} V_l(r) |l,m>___ Quantum ESPRESSO is

[QE-users] Regarding internal error In points in nscf calculations

Dear All, I used Quantum Espresso 6.5 to interface with WANNIER90 code. I set up 6 by 6 by 6 for the scf calculation of my system. Then, I followed the tutorial on the following official link to interface with WANNIER90.