It seems I was not so accurate. The problem is solved! M.
----- Original Message ----- From: Mpayami via users (users@lists.quantum-espresso.org) Date: 11/09/1402 15:42 To: Quantum ESPRESSO users Forum (users@lists.quantum-espresso.org) Subject: [QE-users] Hp-code treating metals Dear Experts, Especially HP-code Developers, Hi. Kindly, running the examples provided in HP folder, especially example04 I am convinced that one can use HP-code to determine self-consistently the Hubbard parameters even for some metals (Here, Ni ferromagnetic bulk). However, when I use Hp-code for another metal example, the components of response function assume extremely large values and the self-consistent cycle fails. This large values may originate from the improper initial values for running HP-code. I have played with all parameters mentioned in HP-INPUT file but did not manage it. I would highly appreciate any comments in this respect. Best regards, Mahmoud Payami NSTRI, AEOI Tehran, Iran Email: mpay...@aeoi.org.ir Phone: +98(0)2182066504 ------------------------------------ _______________________________________________ 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
