February 2022 Archives by subject

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Starting: Tue Feb 1 06:03:15 CET 2022
Ending: Mon Feb 28 23:05:50 CET 2022
Messages: 172

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

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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