Messages by Thread
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Re: [QE-users] Possible bug in the magnetization report in xml file
Pietro Davide Delugas
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[QE-users] Fwd: SPACE GROUP-POINT GROUP ERROR
Barsha Pal
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[QE-users] ZERO-POINT ENERGY IN QUANTUM ESPRESSO
Barsha Pal
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[QE-users] Speed up force calculations
Prasenjit Ghosh via users
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[QE-users] Request for Guidance on Calculating Piezoelectric Tensors Using Quantum ESPRESSO
T N Kulawardena
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[QE-users] spin projected DOS from SO computations
Ronald Cohen
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[QE-users] dvscf in Phonon calculations
Shubham Patel via users
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[QE-users] Wrong label in orbital projection
wangzongyi via users
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[QE-users] Discussion on random matrix generation in set_irr_new: GOE or GUE
songc...@mails.jlu.edu.cn
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[QE-users] [Webinar] Running QE on Cloud-Based HPC – Aug 5
Eunice Oliveira
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[QE-users] Negative charge density in slabs
Marios Georgiou via users
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[QE-users] Error in ph.x calculation of rare earth system
Yujia Teng
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[QE-users] QE on USA DOD machines
Tuttle, Blair Richard
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[QE-users] Problems with phonon calculation in qe-7.4.1
Ulrike Nitzsche
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[QE-users] Minimum Image Convention in compute_dipole.f90
Dyer, Brock via users
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[QE-users] Issues with activating OSCDFT calculations in Quantum Espresso
Gaikwad, Kunal via users
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[QE-users] Visitors to Video on QESB09 list in a full queue and can not be loaded
ZHUNG Andio
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[QE-users] Core potentials for Kumagai-Oba correction
Dr. Sheharyar Pervez Assistant Professor FES
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[QE-users] Quantum about inconsistent K 111 and gamma sampling
Shimin ZHANG via users
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[QE-users] Makov-Payne Correction During Geometry Optimizations
Dyer, Brock via users
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[QE-users] Puzzle in doing band unfolding
wangzongyi via users
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[QE-users] vc-md simulation: Pressure stays below target
Seitaro YAZAWA
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[QE-users] HSE band calculation, ACE potential not found or not readable
Anvari, Roozbeh
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[QE-users] [QE-GPU] pDOS abruptly ends before Fermi Energy
André Luiz Koch Liston
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[QE-users] Second order Raman modes
Gulshan Kumar via users
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[QE-users] Unable To Compile QE 7.2 on MacOS Sequoia 15.5
AMOGH A .
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[QE-users] Videos of QE-Summer School in 2009 on Materials Clouds could not be visited
ZHUNG Andio
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[QE-users] qe compiled with aocc and aocl is incompatible with ph.x
???????? via users
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[QE-users] Problem with computed bandgap
AISWARYA CHANDRAN via users
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[QE-users] Calculation of kinetic energy
ALFONSO GALLO BUENO
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Re: [QE-users] Lattice Constant Choice for Ni₂TiGe (Full-Heusler) Calculations
Lorenzo Paulatto
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[QE-users] Negative modes in phonon dispersion calculation
LEKSHMI S M .
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[QE-users] ⚛️ See the GRIR443 benchmark in action — no supercomputer needed ⚛️
Eunice Oliveira
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[QE-users] Bloch (Kohn-Sham) orbitals in QE calculations
Shubham Patel
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[QE-users] Question about |psi|^2 2D plot (XCrySDen)
Toshiharu Higuchi via users
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[QE-users] The real space wavefunction by wfck2r.x
Yuvam Bhateja via users
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[QE-users] PWgui-7.0 cannot find itk in qe-7.4.1
Lustig, Steve via users
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[QE-users] force_convergence_criteria
Saroj Kumari, Dr
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[QE-users] Wrong data of reduced density gradient
jibiaoli
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[QE-users] Run error of local density of electronic entropy
jibiaoli
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[QE-users] Compile error of QE-7.4.1
jibiaoli
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[QE-users] manual choosing random_seed
Mpayami via users
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[QE-users] ld1.x problem for testing pseudo potential
Tomoya Naito
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[QE-users] Segmentation Fault in QE calculation
Sayan Mandal via users
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[QE-users] [GGA PBE error]
박기명
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[QE-users] Error while running quantum espresso in Macos
Monika Srivastava via users
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[QE-users] phonon linewidth calculation
Ivan Dario Arellano Ramirez
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[QE-users] Preserve space group during relaxation
Dr. Sheharyar Pervez Assistant Professor FES
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[QE-users] Non-collinear magnetism MPI run
Marios Georgiou via users
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Re: [QE-users] phonon dispersion
Paolo Giannozzi
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[QE-users] Trouble with MoSe2
AMOGH A .
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[QE-users] el_ph_sigma
LL via users
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[QE-users] Pair atoms from input with output atoms ?
Husak Michal via users
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[QE-users] Inconsistent paw.txt output from AIIDA and default Quantum Espresso
Wei Bin How
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[QE-users] YBCO (001) slabs: "convergence" problem
michele de angelis
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[QE-users] How to choose appropriate emass and dt in cp.x with occupations = 'ensemble'?
Ms.Shruthi A S via users
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[QE-users] Getting electrostatic potential in atomic site
Lorenzo Sponza
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[QE-users] problem with ph.x in calculating x-point phonon
?????? via users
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[QE-users] CPMD Setup Guidelines for Metallic 2D Heterostructure System
Ms.Shruthi A S via users
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[QE-users] QE convergence problem for molecular crystal
Si, Pradip via users
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[QE-users] Regarding the optimization of SCF calculations in supercells
Mateus Corradini Lopes
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[QE-users] Regarding query about HSE run in Quantum espresso
BINOY CHANDRA DEY via users
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[QE-users] Raman with DFT+U
Angsula Ghosh via users
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[QE-users] How does one read a wfck2r.x Post-processed file?
By_Doma via users
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[QE-users] [SPAM] Re: How does one read a wfck2r.x Post-processed file?
By_Doma via users
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[QE-users] How does one read a wfck2r.x Post-processed file?
By_Doma via users
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[QE-users] [SPAM]
By_Doma via users
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[QE-users] Parallelization levels
Abdesalem Houari via users
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[QE-users] Poor GPU scaling for Gamma-point-only calculation on multiple GPUs
Wang Xing
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[QE-users] Error in band structure calculations
Zhao Yi-Feng
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[QE-users] alat Units in VC-relax query
Sri Matta via users
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[QE-users] ?????? Which matrix the 'fildvscf' tag will calcualte?
???????? via users
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[QE-users] 答复: users Digest, Vol 214, Issue 10
Zhao Yi-Feng
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[QE-users] Which matrix the 'fildvscf' tag will calcualte?
???????? via users
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[QE-users] The long time takes in calculation of Computing stress and pressure during vc-relax
Zhao Yi-Feng
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Re: [QE-users] Format of the interatomic force constant .fc file
Lorenzo Paulatto
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[QE-users] VC_relax calculation
fatemeh mahmudi
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[QE-users] SCF Convergence Nosym
Ian Dunn via users
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Re: [QE-users] DFT+U+V neighbour allocation extremely slow and not parallelized
Timrov Iurii
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[QE-users] QE-GPU
Holger Euchner