Hi. The ambiguity is resolved. MP
----- Original Message ----- From: Mpayami via users (users@lists.quantum-espresso.org) Date: 24/12/1401 22:23 To: Quantum ESPRESSO users Forum (users@lists.quantum-espresso.org) Subject: [QE-users] hp.x with finite U Dear QE Developers Hi. Exploring the details of the hp.x code, I compared the results obtained from example01 and example05. As is seen, the two results slightly differ. Question: It happens that in some cases one has to use a finite U in the scf calculations before running hp.x. Should the value of finite U be as small as possible? Thanks in advance. 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
