Why not use occupations=‘fixed’? Cheers, Vahid
On May 24, 2024, at 5:53 PM, Md. Jahid Hasan Sagor <md.sa...@maine.edu> wrote: CAUTION: The Sender of this email is not from within Dalhousie. Hi Lorenzo, Thank you for your response. But Here I am using GaAs, it's a semiconductor, but still I am getting the message. Thanks Best Hasan On Fri, May 24, 2024 at 4:51 PM Lorenzo Bastonero <lbast...@uni-bremen.de<mailto:lbast...@uni-bremen.de>> wrote: Hello, Dielectric constant in metals is “infinite”. There’s no static response to a static electric field (you would generate an electric current). As such, any long-range correction to the force-constants is not needed in metals, if that is the reason why you were trying to compute these quantities. Best, Lorenzo ******************************** Lorenzo Bastonero PhD Student U Bremen Excellence Chair, Bremen Center for Computational Materials Science, and MAPEX Center for Materials and Processes University of Bremen Faculty of Production Engineering TAB-Building, Room 3.32 Am Fallturm 1 28359 Bremen, DE http://www.hmi.uni-bremen.de/ Il giorno 24 mag 2024, alle ore 22:20, Md. Jahid Hasan Sagor <md.sa...@maine.edu<mailto:md.sa...@maine.edu>> ha scritto: Hi Dear QE Experts, I am trying to calculate second order force constants for GaAs. I successfully ran pw.x, but after that when I ran ph.x, I got the following error. ask # 0 from phq_readin : error # 1 no electric. field with metals Input files are attached here. I have used epsil = .true. for phonon calculation to calculate born charge and dielectric constant. Would you please give some solutions for this? Best Md Jahid Hasan Mechanical Engg PhD Student University of Maine <ph.in<http://ph.in/>><scf.in<http://scf.in/>>_______________________________________________ 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<http://www.max-centre.eu/>) users mailing list users@lists.quantum-espresso.org<mailto: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<http://www.max-centre.eu/>) users mailing list users@lists.quantum-espresso.org<mailto: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
_______________________________________________ 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
