> Could you please mention which files of 7.1 should be replaced from gitlab to > fix the problem?
https://gitlab.com/QEF/q-e/-/merge_requests/1976/diffs https://gitlab.com/QEF/q-e/-/merge_requests/1973/diffs Iurii -- Dr. Iurii TIMROV Senior Research Scientist Theory and Simulation of Materials (THEOS) Swiss Federal Institute of Technology Lausanne (EPFL) CH-1015 Lausanne, Switzerland +41 21 69 34 881 http://people.epfl.ch/265334 ________________________________ From: Mahmoud Payami Shabestari <[email protected]> Sent: Monday, December 5, 2022 4:32:05 PM To: Iurii TIMROV; Quantum ESPRESSO users Forum Subject: Re: [QE-users] Hubbard_occ() Dear Iurii, Hi. Thank you so much for your kind prompt response. I used the development version of PW at gitlab, but encountered the following error message: ++++++++++++++++++++++++=== In file included from /usr/include/bits/floatn.h(119), from /usr/include/stdio.h(406), from copy.c(3): /usr/include/bits/floatn-common.h(214): error: invalid combination of type specifiers typedef float _Float32; ^ +++++++++++++++++++++++===== Could you please mention which files of 7.1 should be replaced from gitlab to fix the problem? Thank you in advance. Best regards, Mahmoud From: Iurii TIMROV via users <[email protected]> To: Mahmoud Payami Shabestari <[email protected]>, "Quantum ESPRESSO users Forum" <[email protected]> Date: Mon, 5 Dec 2022 14:50:14 +0000 Subject: Re: [QE-users] Hubbard_occ() > I am testing the "Hubbard_occ(ityp,i)" variable in QE-7.1 to override reading > the occupation from pseudopotential. It seems that it is not functioning > yet?! I get the same results for different values of Hubbard_occ. There is a bug in QE-7.1. It has been fixed in the development version on Gitlab about a month ago. Iurii -- Dr. Iurii TIMROV Senior Research Scientist Theory and Simulation of Materials (THEOS) Swiss Federal Institute of Technology Lausanne (EPFL) CH-1015 Lausanne, Switzerland +41 21 69 34 881 http://people.epfl.ch/265334 ________________________________ From: users <[email protected]> on behalf of Mahmoud Payami Shabestari via users <[email protected]> Sent: Monday, December 5, 2022 3:48:03 PM To: [email protected] Subject: [QE-users] Hubbard_occ() Dear All, I am testing the "Hubbard_occ(ityp,i)" variable in QE-7.1 to override reading the occupation from pseudopotential. It seems that it is not functioning yet?! I get the same results for different values of Hubbard_occ. Any comment is highly appreciated. Bests, Mahmoud Payami NSTRI, AEOI, Tehran, Iran Email: [email protected] Phone: +98 (0)21 82066504 --------------------------------------------------------
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