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Pw_forum.pwscf.narkive.com[email protected] - page 2 - narkive
Web Jul 13, 2017 · Mailing List [email protected], 12k threads, 64.4k posts, ranked #395.
Pw-forum.pwscf.narkive.com[Pw_forum] gamma_only and noncolin not allowed
Web Hi everyone! I'm trying to perform an scf calculation in order to calculate the spectrum of a perovskite. Here there is my input &CONTROL title = 'MaPbI3_alpha_120_720' , …
Pw-forum.pwscf.narkive.com[Pw_forum] nr fixed in q_gen subroutine : give wrong total_weight …
Web 7 years ago Dear Paolo Giannozzi and community, This 4*4*4 is important because it modifies the "total_weight" variable. Example: I did an interpolation of a 5^3 q-mesh to …
Pw-forum.pwscf.narkive.com[Pw_forum] pp.x Error in routine chdens (1): nx, ny, nz, required
Web output_format=3. /. According to the input_pp documentation, there is no need to include any of nx, ny, and nz variables in pp.in file. And I have search on the internet, and find …
Pw-forum.pwscf.narkive.com[Pw_forum] Error in routine cdiaghg (427): S matrix not positive …
Web 10 years ago. hello QE user. first i relax struture. then i do 'scf' calculation. these calculation. worked well. after that when i run 'band' calculations the follwing error. occur. Error in …
Pw-forum.pwscf.narkive.com[Pw_forum] Fwd: pwscf archive engine
Web Unfortunately, the "search" option is not implemented there. Best, Natalia Pavlenko From: Ali KACHMAR <kachmar_ali at hotmail.fr> To: pw_forum at pwscf.org Sent: Thursday, …
Lists.quantum-espresso.org[Pw_forum] End of SCF - convergence NOT achieved - Quantum …
Web Ben Palmer benpalmer1983 at gmail.com Thu Jun 29 15:40:20 CEST 2017. Previous message: [Pw_forum] End of SCF - convergence NOT achieved. Next message: …
Lists.quantum-espresso.org[Pw_forum] how to use PWSCF forum
Web Sep 25, 2008 · You already posted your question successfully !! Just Send your question to pw_forum at pwscf.org, but you should dig out archives since there are many repeated …
Lists.quantum-espresso.org[QE-users] Getting wavefunctions from QE - Quantum ESPRESSO
Web Sep 17, 2020 · In versions less than 6, these two > links give me what I want > ( https://pw-forum.pwscf.narkive.com/UnDfSmzu/how-to-use-the-wave-functions, > …
Lists.quantum-espresso.orghow to conduct HOMO LUMO calculations in Quantum Espresso?
Web this is from pwscf forum link If you know the number of bands in your system, say n, you simply set nbnd=n+1 in your pw.x calculation. In the output you should already see the …
Echemi.comUser’s Guide for Quantum-ESPRESSO - UPV/EHU
Web usage of Quantum-ESPRESSO, and to report bugs, is the Pw forum mailing list (pw [email protected]). Here you can obtain help from the developers and many …
Ehu.eusRepeated error in Quantum Espresso "Error in routine potinit (1)"
Web Apr 6, 2022 · See this forum response: https://pw-forum.pwscf.narkive.com/Q2GT5FYn/error-in-routine-potinit-1-starting-and-expected …
Mattermodeling.stackexchange.compw.x: input description - Quantum ESPRESSO
Web Program: pw.x / PWscf / Quantum ESPRESSO (version: 7.2) ... This is the normal way to perform a PWscf calculation 'restart': From previous interrupted run. Use this switch only …
Quantum-espresso.org[Pw_forum] What are wfc files outside prefix.save folder?
Web Dec 4, 2017 · There are two ways to write wavefunction files at the end of a pw.x or cp.x run: "collected", that is, a single file per k-point whose content is independent upon the …
Lists.quantum-espresso.orgInternal error, cannot braket Ef - EPW Forum
Web Jun 12, 2016 · stopping ... I did some web searching and I found that this may be an error with QE 4.3 Please see http://pw_forum.pwscf.narkive.com/feaaZ ... -in-qe-4-3 By the …
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