Hello, Perhaps this website can be helpful for your purpose: https://www.lct.jussieu.fr/pagesperso/contrera/zcam2022/Chembondlab-ZCAM2021.pdf
It is difficult to say if your result is right or not without more information (input data). Maybe you have the impression that the picture is “not good” because your grid is too coarse, or you have cut the ELF into a “uninteresting” plane. In my opinion, the main question you have to ask yourself is: can I interpret this figure? Hope this help, Best regards, > Le 18 août 2024 à 05:40, Nithish Sriram MKU-SCHOLAR > <[email protected]> a écrit : > > Ce mail provient de l'extérieur, restons vigilants > > Dear users > > I am running ELF in QE. I came across several posts saying ELF in QE is not > fully implemented. I ran calculations and got results for a system. I am > attaching the plot with this mail. Can someone check whether it is reasonable > to use this for publication? > I think no. What should I do in this case? > > Can someone help me calculate the ELF using quantum espresso.. > > Thank you > > K. Nithish Sriram > Madurai Kamaraj University > Madurai > India > <ELF.png>_______________________________________________ > 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 [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users Pascal Boulet — Full Professor (PR1) in computational materials chemistry - DEPARTMENT OF CHEMISTRY University of Aix-Marseille - Avenue Escadrille Normandie Niemen - F-13013 Marseille - FRANCE Email : [email protected] <mailto:[email protected]>
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_______________________________________________ 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 [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
