March 2024 Archives by author

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Starting: Fri Mar 1 02:35:20 CET 2024
Ending: Sun Mar 31 21:46:18 CEST 2024
Messages: 87

[QE-users] What to modify in "dynamics_module.f90" for making constant zero pressure during NVT simulation(pw.x) Jayraj Anadani
[QE-users] What to modify in "dynamics_module.f90" for making constant zero pressure during NVT simulation(pw.x) Jayraj Anadani
[QE-users] What to modify in "dynamics_module.f90" for making constant zero pressure during NVT simulation(pw.x) Jayraj Anadani
[QE-users] Error regarding the installation of KGEC package in QE Jayraj Anadani
[QE-users] SOC VC-RELAX Omar Ashour
[QE-users] [Phonopy error] "Parsing "scf-001.out" failed" Vahid Askarpour
[QE-users] Binding energy and interatomic force constant Stefano Baroni
[QE-users] Binding energy and interatomic force constant Stefano Baroni
[QE-users] Too few bands Giovanni Cantele
[QE-users] error Giovanni Cantele
[QE-users] Convergence not achieved Giovanni Cantele
[QE-users] Convergence not achieved Saiyed Tasnim Md Fahim
[QE-users] Convergence not achieved Saiyed Tasnim Md Fahim
[QE-users] Issue downloading Quantum Espresso Nikos Galanakis
[QE-users] sfc calculation for ROY structures Nikos Galanakis
[QE-users] [Phonopy error] "Parsing "scf-001.out" failed" Paolo Giannozzi
[QE-users] [Phonopy error] "Parsing "scf-001.out" failed" Paolo Giannozzi
[QE-users] puzzle on homo higher than lumo Paolo Giannozzi
[QE-users] Fwd: Problem with electric polarization calculation in quantum espresso Paolo Giannozzi
[QE-users] ibrave=-12 Paolo Giannozzi
[QE-users] error in produce pseudopotentials Paolo Giannozzi
[QE-users] Phonon calculations with different parallelization Paolo Giannozzi
[QE-users] Phonon calculations with different parallelization Paolo Giannozzi
[QE-users] Too few bands Paolo Giannozzi
[QE-users] [SPAM] nscf calculation error Paolo Giannozzi
[QE-users] [SPAM] nscf calculation error Paolo Giannozzi
[QE-users] What to modify in "dynamics_module.f90" for making constant zero pressure during NVT simulation(pw.x) Stefano de Gironcoli
[QE-users] Request for Assistance: Positioning Metallic Element(Na) at Tetrahedral Interstitial Site (TIS) in Ag2O BCC Structure Stefano de Gironcoli
[QE-users] problems writing file Tarek Hammad
[QE-users] error Muhammad Ishfaq
[QE-users] sternheimer_kernel: root not converged in phonon calculation RABONE Jeremy
[QE-users] sternheimer_kernel: root not converged in phonon calculation RABONE Jeremy
[QE-users] sternheimer_kernel: root not converged in phonon calculation RABONE Jeremy
[QE-users] vc-relax in PBE0 functional Karkee, Rijan
[QE-users] root not converged Karkee, Rijan
[QE-users] Ghost-Hunter Index in Quantum Espresso Chan Yong Keat
[QE-users] f-electron consideration in pseudopotentials Prakash Khatri
[QE-users] projwfc.x output for magnetic anisotropy calculations using QE 6.7.0 Amar Kumar
[QE-users] Binding energy and interatomic force constant KRISHNENDU MUKHERJEE
[QE-users] Binding energy and interatomic force constant KRISHNENDU MUKHERJEE
[QE-users] Too few bands Nicola Marzari
[QE-users] fail in running Koopmans Nicola Marzari
[QE-users] sfc calculation for ROY structures Nicola Marzari
[QE-users] Binding energy and interatomic force constant Mpayami
[QE-users] Binding energy and interatomic force constant Mpayami
[QE-users] which data files need to be saved for assuring reproducibility? Abdul Muhaymin
[QE-users] Difference between data file saved inside outdir Abdul Muhaymin
[QE-users] Ayuda con calulos de ZPL, usando DeltaSCF Wilber Muriel
[QE-users] Ayuda con calulos de ZPL, usando DeltaSCF Wilber Muriel
[QE-users] Norm-conserving pseudopotential for In with 3 electrons in valence Wilber Muriel
[QE-users] What to modify in "dynamics_module.f90" for making constant zero pressure during NVT simulation(pw.x) Kazume NISHIDATE
[QE-users] Request for Assistance: Positioning Metallic Element(Na) at Tetrahedral Interstitial Site (TIS) in Ag2O BCC Structure MOSES NTSIFUL
[QE-users] Install failure for w90 Tomoya Naito
[QE-users] ibrave=-12 Fariba Nazari
[QE-users] Re: Fail in running koopmans Colonna Nicola
[QE-users] SOC VC-RELAX Abiodun Odusanya
[QE-users] SOC VC-RELAX Abiodun Odusanya
[QE-users] Ayuda con calulos de ZPL, usando DeltaSCF Lorenzo Paulatto
[QE-users] What to modify in "dynamics_module.f90" for making constant zero pressure during NVT simulation(pw.x) Lorenzo Paulatto
[QE-users] What to modify in "dynamics_module.f90" for making constant zero pressure during NVT simulation(pw.x) Lorenzo Paulatto
[QE-users] Convergence not achieved in 'relax' calculation Lorenzo Paulatto
[QE-users] open_grid.x with ibrav =4 error Lorenzo Paulatto
[QE-users] [SPAM] nscf calculation error Lorenzo Paulatto
[QE-users] Phonon calculations with different parallelization Chirantan Pramanik
[QE-users] XSpectra: convergence Yohei Uemura
[QE-users] SCF calculation with bp functional does not converge Simon Vandewynckel
[QE-users] Fermi energy shift in band structure PRASAD SANKALPA WANNINAYAKA
[QE-users] Convergence not achieved in 'relax' calculation PRASAD SANKALPA WANNINAYAKA
[QE-users] Error while NSCF calculation Akhil g.nair
[QE-users] Fail to generate lead.mmn and lead.amn file wangzongyi at mail.ustc.edu.cn
[QE-users] puzzle on homo higher than lumo wangzongyi at mail.ustc.edu.cn
[QE-users] error in produce pseudopotentials wangzongyi at mail.ustc.edu.cn
[QE-users] Fail in running koopmans wangzongyi at mail.ustc.edu.cn
[QE-users] fail in running Koopmans wangzongyi at mail.ustc.edu.cn
[QE-users] Fwd: thermo_pw DOS CRASH Microsoft.com team
[QE-users] open_grid.x with ibrav =4 error saramoh at tezu.ernet.in
[QE-users] open_grid.x with ibrav =4 error saramoh at tezu.ernet.in
[QE-users] open_grid.x issue wenusaras
[QE-users] Too few bands aleksandr.doma at yahoo.com
[QE-users] Too few bands aleksandr.doma at yahoo.com
[QE-users] Inquiry Regarding the atomic displacement in Phonon Calculation zhouchao
[QE-users] [SPAM] nscf calculation error Максим Кузнецов
[QE-users] [SPAM] Re: nscf calculation error Максим Кузнецов
[QE-users] cannot project on zero atomic wavefunctions for part of elements - PDOS calculation using r2SCAN META-GGA and HGH pseudopotential 陈科帆
[QE-users] [Phonopy error] "Parsing "scf-001.out" failed" 임용식
[QE-users] [Phonopy error] "Parsing "scf-001.out" failed" 임용식
[QE-users] The problem which total energy repeat when vc-relaxing 임용식

Last message date: Sun Mar 31 21:46:18 CEST 2024
Archived on: Sun Mar 31 21:45:43 CEST 2024

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