Dear Chris, Hi. Thank you for your comment. In fact I was thinking about the "Protocol" (Fig. 1) of paper: I. Timrov et. al., PRB 103, 045141 (2021), with the same meaning as you mentioned. But, the procedure U_in,i --> U_out,i = U_in, i+1 --> U_out, i+1, . . . does not seem to be a practical one, as we see generating each U is very time consuming. By the way, my problem in the previous post was that the unperturbed system was metallic and I was worring about convergency of Chi. However, I noticed that the method is extended also for metals. Thank you again.
Cheers, Mahmoud ----- Original Message ----- From: Christoph Wolf (wolf.christoph@qns.science) Date: 25/12/1401 14:43 To: Quantum Espresso users Forum (users@lists.quantum-espresso.org) Subject: Re: [QE-users] hp.x with finite U Hi Mahmoud, I believe the "output U" does depend on the "input U" - but only to a small degree. You can study it by performing a loop updating U_in and checking the value of U_out: #i U_in U_out 1 1D-10 7.5154 2 7.5154 7.3759 3 7.3759 7.2442 4 7.2442 7.3925 5 7.3925 7.3820 HTH! Chris --IBS Center for Quantum Nanoscience Seoul, South Korea _______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
_______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
