February 2022 Archives by date
Starting: Tue Feb 1 06:03:15 CET 2022
Ending: Mon Feb 28 23:05:50 CET 2022
Messages: 172
- [QE-users] problem in running pw2wannier90.x
Soumendra Kumar Das
- [QE-users] problem in running pw2wannier90.x
Raghottam Sattigeri
- [QE-users] Crystal structure changes while doing vc-relax calculation.
Vivek Christhunathan
- [QE-users] Crystal structure changes while doing vc-relax calculation.
Lorenzo Paulatto
- [QE-users] Performance of Windows QE build (cygwin64, OpenMP, gfortran) low ...
Husak Michal
- [QE-users] [Webinar] Prof. David Singh, “BoltzTraP and Electronic Transport in Solids"
Minkyu Park
- [QE-users] problem in running pw2wannier90.x
Soumendra Kumar Das
- [QE-users] Different phonon frequencies at Gamma point via q2r.x + dynmat.x and matdyn.x calculation.
zhishuohuang at gmail.com
- [QE-users] Different phonon frequencies at Gamma point via q2r.x + dynmat.x and matdyn.x calculation.
Paolo Giannozzi
- [QE-users] Different phonon frequencies at Gamma point via q2r.x + dynmat.x and matdyn.x calculation.
zhishuohuang at gmail.com
- [QE-users] Reconstruction problem in hp.x :Error in routine reconstruct_full_chi (1)
Bezzaoui Iman
- [QE-users] Reconstruction problem in hp.x :Error in routine reconstruct_full_chi (1)
Iurii TIMROV
- [QE-users] Reconstruction problem in hp.x :Error in routine reconstruct_full_chi (1)
Vahid Askarpour
- [QE-users] Crystal structure changes while doing vc-relax calculation.
Vivek Christhunathan
- [QE-users] Reconstruction problem in hp.x :Error in routine reconstruct_full_chi (1)
Iurii TIMROV
- [QE-users] Reconstruction problem in hp.x :Error in routine reconstruct_full_chi (1)
Vahid Askarpour
- [QE-users] Crystal structure changes while doing vc-relax calculation.
Vivek Christhunathan
- [QE-users] Changing masses of a dynamical matrix
Antoine Jay
- [QE-users] Tracing MPI buidl of QE 7.0 malfuction (gfortranm OpenMPI).
Husak Michal
- [QE-users] Tracing MPI buidl of QE 7.0 malfuction (gfortranm OpenMPI).
Ye Luo
- [QE-users] Tracing MPI buidl of QE 7.0 malfuction (gfortranm OpenMPI).
Husak Michal
- [QE-users] Tracing MPI buidl of QE 7.0 malfuction (gfortranm OpenMPI).
Ye Luo
- [QE-users] Tracing MPI buidl of QE 7.0 malfuction (gfortranm OpenMPI).
Husak Michal
- [QE-users] Tracing MPI buidl of QE 7.0 malfuction (gfortranm OpenMPI).
Ye Luo
- [QE-users] Tracing MPI buidl of QE 7.0 malfuction (gfortranm OpenMPI).
Husak Michal
- [QE-users] Tracing MPI buidl of QE 7.0 malfuction (gfortranm OpenMPI).
Ye Luo
- [QE-users] Tracing MPI buidl of QE 7.0 malfuction (gfortranm OpenMPI).
Husak Michal
- [QE-users] Band calculations for 2x2x2 supercell- stops after a while
Srihari Venugopala Rao
- [QE-users] Band calculations for 2x2x2 supercell- stops after a while
Pietro Bonfa'
- [QE-users] Changing masses of a dynamical matrix
Lorenzo Paulatto
- [QE-users] Band calculations for 2x2x2 supercell- stops after a while
Paolo Giannozzi
- [QE-users] Impossible to download pseudopotential for QE test-suite
Husak Michal
- [QE-users] Impossible to download pseudopotential for QE test-suite
Paolo Giannozzi
- [QE-users] Two important notices
Paolo Giannozzi
- [QE-users] Reconstruction problem in hp.x :Error in routine reconstruct_full_chi (1)
Bezzaoui Iman
- [QE-users] Reconstruction problem in hp.x :Error in routine reconstruct_full_chi (1)
Iurii TIMROV
- [QE-users] Two important notices
Husak Michal
- [QE-users] Two important notices
Paolo Giannozzi
- [QE-users] Reconstruction problem in hp.x :Error in routine reconstruct_full_chi (1)
Bezzaoui Iman
- [QE-users] Impossible to download pseudopotential for QE test-suite
Husak Michal
- [QE-users] Impossible to download pseudopotential for QE test-suite
Paolo Giannozzi
- [QE-users] Impossible to download pseudopotential for QE test-suite
Hongyi Zhao
- [QE-users] Reconstruction problem in hp.x :Error in routine reconstruct_full_chi (1)
Iurii TIMROV
- [QE-users] Impossible to download pseudopotential for QE test-suite
Husak Michal
- [QE-users] Impossible to download pseudopotential for QE test-suite
Husak Michal
- [QE-users] ICOHP lobster and bond strength
Максим Арсентьев
- [QE-users] Still fighting with OpenMPI issue in QE 7.0 cygwin64 build ...
Husak Michal
- [QE-users] ICOHP lobster and bond strength
Dr. K. C. Bhamu
- [QE-users] k point symmetry and open_grid.x error
Zeeshan Ahmad
- [QE-users] zero magnetization in scf calculation
mitra helmi
- [QE-users] zero magnetization in scf calculation
mitra helmi
- [QE-users] Ce Pseudopotential (PAW) that contain 4f valence state
Omer Mutasim
- [QE-users] k point symmetry and open_grid.x error
Lorenzo Paulatto
- [QE-users] Ce Pseudopotential (PAW) that contain 4f valence state
Lorenzo Paulatto
- [QE-users] Ce Pseudopotential (PAW) that contain 4f valence state
William Hewett
- [QE-users] phonons calculations with -ni parallelization freezing
Pavel Ondračka
- [QE-users] Number of wfc.dat files different from the number of k-points
Léo Gaspard
- [QE-users] [SPAM] RE : Reconstruction problem in hp.x :Error in routine reconstruct_full_chi (1)
81Y3
- [QE-users] RE : Reconstruction problem in hp.x :Error in routine reconstruct_full_chi (1)
Iurii TIMROV
- [QE-users] Number of wfc.dat files different from the number of k-points
Paolo Giannozzi
- [QE-users] Crystal structure changes while doing vc-relax calculation.
Vivek Christhunathan
- [QE-users] Crystal structure changes while doing vc-relax calculation.
Husak Michal
- [QE-users] Number of wfc.dat files different from the number of k-points
Léo Gaspard
- [QE-users] phonons calculations with -ni parallelization freezing
Pavel Ondračka
- [QE-users] Problem with Cholesky
Aritri Roy
- [QE-users] LDA normconserving pseudopoential Cu
Johannes Meusburger - STFC UKRI
- [QE-users] LDA normconserving pseudopoential Cu
Nicola Marzari
- [QE-users] Problem with Cholesky
Paolo Giannozzi
- [QE-users] Problem with Cholesky
Kazume NISHIDATE
- [QE-users] Phonon SCF does not converge with semicore pseudopotentials
Antonio Crepaldi
- [QE-users] Phonon SCF does not converge with semicore pseudopotentials
Lorenzo Paulatto
- [QE-users] Phonon SCF does not converge with semicore pseudopotentials
Antonio Crepaldi
- [QE-users] Crystal structure changes while doing vc-relax calculation.
Vivek Christhunathan
- [QE-users] Crystal structure changes while doing vc-relax calculation.
Husak Michal
- [QE-users] Fe (110) slab isn't converging
Omer Mutasim
- [QE-users] Fe (110) slab isn't converging
Thomas Brumme
- [QE-users] Fe (110) slab isn't converging
Giovanni Cantele
- [QE-users] Fe (110) slab isn't converging
BARRETEAU Cyrille
- [QE-users] Crystal structure changes while doing vc-relax calculation.
Vivek Christhunathan
- [QE-users] PLUMED with Quantum ESPRESSO
Phillips Hutchison
- [QE-users] PLUMED with Quantum ESPRESSO
Paolo Giannozzi
- [QE-users] crash of band and pdos calculations
lahmer med ali
- [QE-users] Impossible to download pseudopotential for QE test-suite
Shivam Kansara
- [QE-users] mismatch in number of G-vectors
Jagapathi Babu
- [QE-users] mismatch in number of G-vectors
Paolo Giannozzi
- [QE-users] wrong total_weight error
Mohamed Ahmed Abd-Elati
- [QE-users] Impossible to download pseudopotential for QE test-suite
Hongyi Zhao
- [QE-users] Impossible to download pseudopotential for QE test-suite
Husak Michal
- [QE-users] Xcrysden on Mac OSX 12.1 Monterey
ganes at tf.itb.ac.id
- [QE-users] convergence NOT achieved using DFT+U
Antonio Pancho Ramirez
- [QE-users] wrong total_weight error
Lorenzo Paulatto
- [QE-users] convergence NOT achieved using DFT+U
Iurii TIMROV
- [QE-users] convergence NOT achieved using DFT+U
Paolo Giannozzi
- [QE-users] wrong total_weight error
Mohamed Ahmed Abd-Elati
- [QE-users] Probable bug in additional_kpoints.f90 subroutine
Prasenjit Ghosh
- [QE-users] convergence NOT achieved using DFT+U
Antonio Pancho Ramirez
- [QE-users] convergence NOT achieved using DFT+U
Iurii TIMROV
- [QE-users] Probable bug in additional_kpoints.f90 subroutine
Lorenzo Paulatto
- [QE-users] APPLICATIONS OPEN & DEADLINE EXTENSION - Wannier 2022 Summer School (16-20 May 2022)
MARRAZZO ANTIMO
- [QE-users] Probable bug in additional_kpoints.f90 subroutine
Prasenjit Ghosh
- [QE-users] Q points weights
Piotr Szkudlarek
- [QE-users] Job termination
Tarek Hammad
- [QE-users] GCSCF - ESM-RISM
Ludovic Briquet
- [QE-users] exchange interaction parameters
Bezzaoui Iman
- [QE-users] MaX Yambo School @ ICTP, April 4-8 2022
Andrea Ferretti
- [QE-users] Probable bug in additional_kpoints.f90 subroutine
Aleksandra Oranskaia
- [QE-users] Probable bug in additional_kpoints.f90 subroutine
Lorenzo Paulatto
- [QE-users] GCSCF - ESM-RISM
Otani Minoru
- [QE-users] Error during calculation U parameter with hp.x
Antonio Pancho Ramirez
- [QE-users] Molecule/slab case isn't converging
Omer Mutasim
- [QE-users] Molecule/slab case isn't converging
Omer Mutasim
- [QE-users] Error during calculation U parameter with hp.x
Iurii TIMROV
- [QE-users] Error during calculation U parameter with hp.x
Paolo Giannozzi
- [QE-users] Error during calculation U parameter with hp.x
Iurii TIMROV
- [QE-users] wrong total_weight error
Mohamed Ahmed Abd-Elati
- [QE-users] Error in band structure calculation
Giovanni Cantele
- [QE-users] Error in PWCOND calculation
Mayuri Bora
- [QE-users] Error in band structure calculation
DHILSHADA V.N.
- [QE-users] Applicability of DFT+U+J to Anisotropy Calculations
Peter Stoeckl
- [QE-users] [[QE-GPU]Any Plan for PHonon and EPW Module
kuangll
- [QE-users] Non consistent C->P, P->C cell transformation generated by Quantum Espresso
Michal Husak
- [QE-users] transition state- using quantum espresso.
khouini_f at znu.ac.ir
- [QE-users] transition state- using quantum espresso.
Giuseppe Mattioli
- [QE-users] K points weights in Tc calculations
Piotr Szkudlarek
- [QE-users] error in band and pdos calculations
lahmer med ali
- [QE-users] Query regarding MD simulation in quantum espreeso
Jyotirmoy Deb
- [QE-users] The difference between DFT-D and DFT-D2 in QE package
mohammad maymoun
- [QE-users] Why is my VC-RELAX not showing converged result?
Naharin Jannath
- [QE-users] Why is my VC-RELAX not showing converged result?
sally issa
- [QE-users] Why is my VC-RELAX not showing converged result?
Lorenzo Paulatto
- [QE-users] Nose-Hoover Chain in CPMD
ustbhh
- [QE-users] users Digest, Vol 175, Issue 20
Naharin Jannath
- [QE-users] users Digest, Vol 175, Issue 20
sally issa
- [QE-users] The difference between DFT-D and DFT-D2 in QE package
Johannes Meusburger - STFC UKRI
- [QE-users] Regarding band calculation of BiFeO3
Srihari Venugopala Rao
- [QE-users] Applicability of DFT+U+J to Anisotropy Calculations
Matteo Cococcioni
- [QE-users] users Digest, Vol 175, Issue 20
Lorenzo Paulatto
- [QE-users] ghost like bands ?
Kazume NISHIDATE
- [QE-users] Ph.x with grimme D3
Lorenzo Mariano
- [QE-users] Ph.x with grimme D3
Dr. K. C. Bhamu
- [QE-users] ghost like bands ?
Giuseppe Mattioli
- [QE-users] Ph.x with grimme D3
Lorenzo Mariano
- [QE-users] ghost like bands ?
Kazume NISHIDATE
- [QE-users] Ph.x with grimme D3
Paolo Giannozzi
- [QE-users] ghost like bands ?
Giuseppe Mattioli
- [QE-users] Ph.x with grimme D3
Lorenzo Mariano
- [QE-users] Ph.x with grimme D3
Paolo Giannozzi
- [QE-users] ghost like bands ?
Kazume NISHIDATE
- [QE-users] ghost like bands ?
Kazume NISHIDATE
- [QE-users] ghost like bands ?
Giuseppe Mattioli
- [QE-users] ghost like bands ?
Kazume NISHIDATE
- [QE-users] ghost like bands ?
Paolo Giannozzi
- [QE-users] (no subject)
Nirmal Barman
- [QE-users] (no subject)
Giovanni Cantele
- [QE-users] Error in PWCOND calculation
Mayuri Bora
- [QE-users] Error in PWCOND calculation
Stefano Baroni
- [QE-users] Temperature effect
sally issa
- [QE-users] Fortran runtime error: Disk quota exceeded
Tarek Hammad
- [QE-users] Regarding band calculations using HSE hybrid functionals
Srihari Venugopala Rao
- [QE-users] Fortran runtime error: Disk quota exceeded
Lorenzo Paulatto
- [QE-users] QE6.8 installation failure on Mac Big Sur
Eduardo Menendez
- [QE-users] Fortran runtime error: Disk quota exceeded
Microsoft.com team
- [QE-users] Fortran runtime error: Disk quota exceeded
Paolo Giannozzi
- [QE-users] Error in ph.x calculation
deepti rajpoot
- [QE-users] Error in ph.x calculation
Iurii TIMROV
- [QE-users] QE6.8 installation failure on Mac Big Sur
Paolo Giannozzi
- [QE-users] Defining C diamond structure cp.x
Juniper Savchick
- [QE-users] Defining C diamond structure cp.x
Husak Michal
- [QE-users] Defining C diamond structure cp.x
Stefano Baroni
- [QE-users] Defining C diamond structure cp.x
Juniper Savchick
- [QE-users] Defining C diamond structure cp.x
Tone Kokalj
- [QE-users] Defining C diamond structure cp.x
Nicola Marzari
Last message date:
Mon Feb 28 23:05:50 CET 2022
Archived on: Mon Feb 28 23:06:03 CET 2022
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