February 2023 Archives by author

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Starting: Wed Feb 1 11:40:58 CET 2023
Ending: Tue Feb 28 15:34:14 CET 2023
Messages: 126

[QE-users] Problems in ld1.x LDA-1/2 method Luis Ara
[QE-users] LDA-1/2 method - issues Luis Ara
[QE-users] How to determine the ei(i) and x0(i) imane BEZZAOUI
[QE-users] How to determine the ei(i) and x0(i) imane BEZZAOUI
[QE-users] STM image imane BEZZAOUI
[QE-users] Monolayer calculation imane BEZZAOUI
[QE-users] Monolayer calculation imane BEZZAOUI
[QE-users] [Webinar] Developing an “Alpha Fold" for Materials Science Dr.Mosab Banisalman
[QE-users] E-field units inconsistent Stefano Baroni
[QE-users] Why is my ev.x gave wrong calculations of equilibrium volume? Stefano Baroni
[QE-users] E-field units inconsistent Lorenzo Bastonero
[QE-users] Small query about NiO Pietro Bonfa'
[QE-users] Restarting MD calculation from previous interrupted run SPPU/05097P/2021 OYOMO BILL C
[QE-users] bad line in namelist & control: "/" AISWARYA CHANDRAN
[QE-users] Full phonon dispersion calculation not converging for 2d monolayer Giovanni Cantele
[QE-users] Can an increase in the basis-set increase the total energy of a system? Giovanni Cantele
[QE-users] Monolayer calculation Giovanni Cantele
[QE-users] Why my Hubbard parameter is so much bigger than what I find in the litterature? Giovanni Cantele
[QE-users] Error during bands calculation Sunil Choudhary
[QE-users] How one can get phonon dispersion and phonon linewidth along high symmetry path in a single plot Sahil Dani
[QE-users] FoX: xml_AddCharacters Error Pietro Davide Delugas
[QE-users] Error Installing KGEC Mr. Sheharyar Pervez RA FES
[QE-users] Error Installing KGEC Mr. Sheharyar Pervez RA FES
[QE-users] Error Installing KGEC Mr. Sheharyar Pervez RA FES
[QE-users] FoX: xml_AddCharacters Error Mr. Sheharyar Pervez RA FES
[QE-users] FoX: xml_AddCharacters Error Mr. Sheharyar Pervez RA FES
[QE-users] FoX: xml_AddCharacters Error Mr. Sheharyar Pervez RA FES
[QE-users] invalid lattice parameters error Mr. Sheharyar Pervez RA FES
[QE-users] invalid lattice parameters error Mr. Sheharyar Pervez RA FES
[QE-users] cell_dofree Mr. Sheharyar Pervez RA FES
[QE-users] E-field units inconsistent Joseph Frimpong
[QE-users] Error reading charge-density file when running pw2wannier90.x Valentin VASSILEV GALINDO
[QE-users] Fw: Yb fully relativistic pseudopotential including 5d (spdn) from psl.1.0.0 Gebre, Meba
[QE-users] Error Installing KGEC Paolo Giannozzi
[QE-users] Problem while running nscf to calculate Si mobility Paolo Giannozzi
[QE-users] FoX: xml_AddCharacters Error Paolo Giannozzi
[QE-users] Error in computing density of states using TB09 meta-GGA Paolo Giannozzi
[QE-users] problem in DOS calculation Paolo Giannozzi
[QE-users] el-ph calculation with SOC Ver. 7.0, 7.1 Paolo Giannozzi
[QE-users] Error in computing density of states using TB09 meta-GGA Paolo Giannozzi
[QE-users] Ph.D. position announcement Paolo Giannozzi
[QE-users] el-ph calculation with SOC Ver. 7.0, 7.1 Paolo Giannozzi
[QE-users] Restarting MD calculation from previous interrupted run Paolo Giannozzi
[QE-users] Symmetry identification difference between QE versions Paolo Giannozzi
[QE-users] Symmetry identification difference between QE versions Paolo Giannozzi
[QE-users] LDA-1/2 method - issues Paolo Giannozzi
[QE-users] V_H potential in pp.x Paolo Giannozzi
[QE-users] meaning of Sym.Ops. (with q -> -q+G ) Paolo Giannozzi
[QE-users] Bands calculation with lda+U and constrained magnetization Paolo Giannozzi
[QE-users] Bands calculation with lda+U and constrained magnetization Paolo Giannozzi
[QE-users] ΔS calculation in quantum espresso Impact Group
[QE-users] el-ph calculation with SOC Ver. 7.0, 7.1 Juan Hernández-Tecorralco
[QE-users] Why is my ev.x gave wrong calculations of equilibrium volume? Abdeslam Houari
[QE-users] Regarding Tutorial Electron phonon coupling of Pb by S.Ponce Prarena Jamwal
[QE-users] Forcing order of degenerated states Antoine Jay
[QE-users] Bands calculation with lda+U and constrained magnetization Johnson, Miles R.
[QE-users] Bands calculation with lda+U and constrained magnetization Johnson, Miles R.
[QE-users] Error in computing density of states using TB09 meta-GGA Arini Kar
[QE-users] Error in computing density of states using TB09 meta-GGA Arini Kar
[QE-users] V_H potential in pp.x Jibiao Li
[QE-users] local-TF mixing_mode and supercell of random binary solid solution KRISHNENDU MUKHERJEE
[QE-users] Unit for d2k0 from ev.x KRISHNENDU MUKHERJEE
[QE-users] Symmetry identification difference between QE versions KRISHNENDU MUKHERJEE
[QE-users] Symmetry identification difference between QE versions KRISHNENDU MUKHERJEE
[QE-users] dynamical matrix and Bravais Lattice KRISHNENDU MUKHERJEE
[QE-users] q in the star : dynamical matrix and Bravais Lattice KRISHNENDU MUKHERJEE
[QE-users] meaning of Sym.Ops. (with q -> -q+G ) KRISHNENDU MUKHERJEE
[QE-users] meaning of Sym.Ops. (with q -> -q+G ) KRISHNENDU MUKHERJEE
[QE-users] Electronic band structure calculation for each q in ph.x KRISHNENDU MUKHERJEE
[QE-users] problem in band structure calculation Julaiba Tahsina Mazumder
[QE-users] problem in DOS calculation Julaiba Tahsina Mazumder
[QE-users] k-path along non-conventional points Filippo Monti
[QE-users] on-site attraction in DFT+U Mpayami
[QE-users] qe-6.4.1: modifying quantum numbers for Hubbard orbitals Mpayami
[QE-users] qe-6.4.1: modifying quantum numbers for Hubbard orbitals Mpayami
[QE-users] on-site attraction in DFT+U Mpayami
[QE-users] cell_dofree Mpayami
[QE-users] cell_dofree Mpayami
[QE-users] cell_dofree Mpayami
[QE-users] cell_dofree Mpayami
[QE-users] “Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response” Mpayami
[QE-users] “Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response” Mpayami
[QE-users] How to determine the ei(i) and x0(i) Lorenzo Paulatto
[QE-users] bad line in namelist & control: "/" Lorenzo Paulatto
[QE-users] invalid lattice parameters error Lorenzo Paulatto
[QE-users] cell_dofree Lorenzo Paulatto
[QE-users] Electronic band structure calculation for each q in ph.x Lorenzo Paulatto
[QE-users] Why my Hubbard parameter is so much bigger than what I find in the litterature? Lorenzo Paulatto
[QE-users] B3u and B3g crystallographic axes in QE for the Pnma spacegroup Elio Physics
[QE-users] Why is my ev.x gave wrong calculations of equilibrium volume? NAIMI SALMA
[QE-users] Why is my ev.x gave wrong calculations of equilibrium volume? NAIMI SALMA
[QE-users] Why my Hubbard parameter is so much bigger than what I find in the litterature? NAIMI SALMA
[QE-users] Why my Hubbard parameter is so much bigger than what I find in the litterature? NAIMI SALMA
[QE-users] Why my Hubbard parameter is so much bigger than what I find in the litterature? NAIMI SALMA
[QE-users] Why my Hubbard parameter is so much bigger than what I find in the litterature? NAIMI SALMA
[QE-users] Why my Hubbard parameter is so much bigger than what I find in the litterature? NAIMI SALMA
[QE-users] Why my Hubbard parameter is so much bigger than what I find in the litterature? NAIMI SALMA
[QE-users] Problem while running nscf to calculate Si mobility NM SALMA
[QE-users] How to calculate charge carrier mobility and the conductivity using quantum espresso? NM SALMA
[QE-users] Can an increase in the basis-set increase the total energy of a system? NM SALMA
[QE-users] SCF correction compared to forces is large: reduce conv_thr to get better values NM SALMA
[QE-users] SCF correction compared to forces is large: reduce conv_thr to get better values NM SALMA
[QE-users] Requesting Help With Spin Orbit Coupling Spin-Separated Bands Extraction Luiz Gustavo Davanse da Silveira
[QE-users] Zero occupations of Hubbard levels Iurii TIMROV
[QE-users] Zero occupations of Hubbard levels Iurii TIMROV
[QE-users] Zero occupations of Hubbard levels Iurii TIMROV
[QE-users] Zero occupations of Hubbard levels Iurii TIMROV
[QE-users] on-site attraction in DFT+U Iurii TIMROV
[QE-users] Why my Hubbard parameter is so much bigger than what I find in the litterature? Iurii TIMROV
[QE-users] “Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response” Iurii TIMROV
[QE-users] Why my Hubbard parameter is so much bigger than what I find in the litterature? Iurii TIMROV
[QE-users] Why my Hubbard parameter is so much bigger than what I find in the litterature? Iurii TIMROV
[QE-users] Why my Hubbard parameter is so much bigger than what I find in the litterature? Iurii TIMROV
[QE-users] Why my Hubbard parameter is so much bigger than what I find in the litterature? Iurii TIMROV
[QE-users] Symmetry identification difference between QE versions Shimin Zhang
[QE-users] A problem with the generation of SCAN pseudopotential jiu_hu_bd
[QE-users] Small query about NiO poonamsharma
[QE-users] Small query about NiO poonamsharma
[QE-users] Full phonon dispersion calculation not converging for 2d monolayer sunilch.cstaff
[QE-users] Zero occupations of Hubbard levels Mustafa Özgür
[QE-users] Ynt: Zero occupations of Hubbard levels Mustafa Özgür
[QE-users] Ynt: Zero occupations of Hubbard levels Mustafa Özgür
[QE-users] [SPAM] Error at calculation neb.x with DFT+U Кайрат Курмангалеев
[QE-users] [SPAM] Problem with output order of centers of Wannier orbitals in cp-wf calculation Данил Шеин
[QE-users] [SPAM] Problem with output order of centers of Wannier orbitals in cp-wf calculation Данил Шеин
[QE-users] Can qe calculate the vibration of phonons that are not gamma points 孟静静

Last message date: Tue Feb 28 15:34:14 CET 2023
Archived on: Tue Feb 28 15:34:32 CET 2023

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