December 2022 Archives by date

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Starting: Thu Dec 1 00:01:18 CET 2022
Ending: Thu Dec 29 17:48:41 CET 2022
Messages: 153

[QE-users] Band structure imane BEZZAOUI
[QE-users] Parallelization and Input/Output of wfc in QE Pietro Davide Delugas
[QE-users] Last SCF step of a vc-relax job in DFT+U Iurii TIMROV
[QE-users] Last SCF step of a vc-relax job in DFT+U Mahmoud Payami Shabestari
[QE-users] hp.x : Error in routine hp_readin (1): PURINUT SAE-FU
[QE-users] Applying assume_isolated="2D" to modified anatase surface Léon Luntadila Lufungula
[QE-users] Parallelization and Input/Output of wfc in QE KRISHNENDU MUKHERJEE
[QE-users] Parallelization and Input/Output of wfc in QE KRISHNENDU MUKHERJEE
[QE-users] Applying assume_isolated="2D" to modified anatase surface Pietro Davide Delugas
[QE-users] hp.x : Error in routine hp_readin (1): Paolo Giannozzi
[QE-users] hp.x : Error in routine hp_readin (1): PURINUT SAE-FU
[QE-users] hp.x : Error in routine hp_readin (1): Paolo Giannozzi
[QE-users] Charge density difference of two structures that are a bit different (cell+geometry) Ariadni BOZIKI
[QE-users] Charge density difference of two structures that are a bit different (cell+geometry) Giuseppe Mattioli
[QE-users] Problem with Parallelization of Hp.x Jamie Holber
[QE-users] Charge density difference of two structures that are a bit different (cell+geometry) Ariadni BOZIKI
[QE-users] Problem with Parallelization of Hp.x Iurii TIMROV
[QE-users] Applying assume_isolated="2D" to modified anatase surface Léon Luntadila Lufungula
[QE-users] LDOS imane BEZZAOUI
[QE-users] Problem with Parallelization of Hp.x Jamie Holber
[QE-users] Problem with Parallelization of Hp.x Iurii TIMROV
[QE-users] Problem with Parallelization of Hp.x Jamie Holber
[QE-users] Problem with Parallelization of Hp.x Iurii TIMROV
[QE-users] Problem with Parallelization of Hp.x Jamie Holber
[QE-users] Problem with Parallelization of Hp.x Iurii TIMROV
[QE-users] Problem with Parallelization of Hp.x Jamie Holber
[QE-users] calculate LDOS of the surface using quantum Espresso imane BEZZAOUI
[QE-users] Applying assume_isolated="2D" to modified anatase surface pdelugas at sissa.it
[QE-users] Hubbard_occ() Mahmoud Payami Shabestari
[QE-users] Hubbard_occ() Iurii TIMROV
[QE-users] Hubbard_occ() Mahmoud Payami Shabestari
[QE-users] Hubbard_occ() Iurii TIMROV
[QE-users] [QE-GPU] GTX 1650 Marko Boskovic
[QE-users] Hubbard_occ() Mahmoud Payami Shabestari
[QE-users] Hubbard_occ() Iurii TIMROV
[QE-users] Hubbard_occ() Mahmoud Payami Shabestari
[QE-users] Error -Intel Compiler- ubuntu 22.04 khouini_f at znu.ac.ir
[QE-users] Error -Intel Compiler- ubuntu 22.04 Paolo Giannozzi
[QE-users] [QE-GPU] GTX 1650 Fabrizio Ferrari Ruffino
[QE-users] [QE-GPU] GTX 1650 MARRAZZO ANTIMO
[QE-users] Hubbard_occ() Mahmoud Payami Shabestari
[QE-users] Hubbard_occ() Iurii TIMROV
[QE-users] [QE-GPU] GTX 1650 Fabrizio Ferrari Ruffino
[QE-users] DFT+U - error when using the pseudopotential projectors Thomas Brumme
[QE-users] DFT+U - error when using the pseudopotential projectors Iurii TIMROV
[QE-users] Installation error of QE 7.1 with oneAPI Jibiao Li
[QE-users] problem in raman spectrum calculation with SOC V Sanger
[QE-users] Installation error of QE 7.1 with oneAPI Paolo Giannozzi
[QE-users] hp.x root not converged for LiNiO2 "Börries von Seggern"
[QE-users] hp.x root not converged for LiNiO2 Iurii TIMROV
[QE-users] error in raman spectrum calculation with SOC V Sanger
[QE-users] Run error of M06 exchange with libxc 4.3.4 Jibiao Li
[QE-users] error in raman spectrum calculation with SOC Lorenzo Paulatto
[QE-users] 回复： error in raman spectrum calculation with SOC V Sanger
[QE-users] 回复： error in raman spectrum calculation with SOC Lorenzo Paulatto
[QE-users] Run error of M06 exchange with libxc 4.3.4 Jibiao Li
[QE-users] Run error of input_dft with libxc 4.3.4 Jibiao Li
[QE-users] DFT+U - error when using the pseudopotential projectors Paolo Giannozzi
[QE-users] DFT+U - error when using the pseudopotential projectors Thomas Brumme
[QE-users] DFT+U - error when using the pseudopotential projectors Iurii TIMROV
[QE-users] DFT+U - error when using the pseudopotential projectors Thomas Brumme
[QE-users] Run error of M06 exchange with libxc 4.3.4 Fabrizio Ferrari Ruffino
[QE-users] Run error of M06 exchange with libxc 4.3.4 Jibiao Li
[QE-users] Run error of M06 exchange with libxc 4.3.4 Fabrizio Ferrari Ruffino
[QE-users] Correct procedure: CIF to slab with convergence tests Léon Luntadila Lufungula
[QE-users] Run error of M06 exchange with libxc 4.3.4 Jibiao Li
[QE-users] pp.x: iflag=1 for the plot_number=0 Aleksandra Oranskaia
[QE-users] Blue moon ensemble calculations in quantum espresso Payal Chaudhary
[QE-users] using occupation matricx in DFT+U Mahmoud Payami Shabestari
[QE-users] using occupation matricx in DFT+U Matteo Cococcioni
[QE-users] using occupation matrix in DFT+U Mahmoud Payami Shabestari
[QE-users] pp.x: iflag=1 for the plot_number=0 Paolo Giannozzi
[QE-users] use occupation matrix Mahmoud Payami Shabestari
[QE-users] using occupation matricx in DFT+U Mahmoud Payami Shabestari
[QE-users] Blue moon ensemble calculations in quantum espresso Giovanni La Penna
[QE-users] NEB calculation for spin containing system PARVEEN N/A
[QE-users] using occupation matricx in DFT+U Mahmoud Payami Shabestari
[QE-users] [SPAM] Re: Blue moon ensemble calculations in quantum espresso Payal Chaudhary
[QE-users] postprocessing with plotband.x henry odhiambo
[QE-users] on k-point mesh Mahmoud Payami Shabestari
[QE-users] [SPAM] Re: Re: Blue moon ensemble calculations in quantum espresso Payal Chaudhary
[QE-users] postprocessing with plotband.x Marcelo Falcão de Oliveira
[QE-users] on k-point mesh Marcelo Falcão de Oliveira
[QE-users] on k-point mesh Mahmoud Payami Shabestari
[QE-users] Changing functionals parameters Ricardo Cecconello
[QE-users] Changing functionals parameters Fabrizio Ferrari Ruffino
[QE-users] Blue moon ensemble calculations in quantum espresso Paolo Giannozzi
[QE-users] new hubbard U syntax in QEv7.1 Geng Sun
[QE-users] new hubbard U syntax in QEv7.1 Iurii TIMROV
[QE-users] Changing functionals parameters Ricardo Cecconello
[QE-users] the magnetic anisotropy energy imane BEZZAOUI
[QE-users] the magnetic anisotropy energy BARRETEAU Cyrille
[QE-users] the magnetic anisotropy energy imane BEZZAOUI
[QE-users] Error when performing HSE calculations Elio Physics
[QE-users] How to specify starting magnetization for different intermediate images in a single NEB input PARVEEN N/A
[QE-users] How to specify starting magnetization for different intermediate images in a single NEB input Giuseppe Mattioli
[QE-users] the magnetic anisotropy energy imane BEZZAOUI
[QE-users] the magnetic anisotropy energy BARRETEAU Cyrille
[QE-users] the magnetic anisotropy energy imane BEZZAOUI
[QE-users] the magnetic anisotropy energy BARRETEAU Cyrille
[QE-users] the magnetic anisotropy energy imane BEZZAOUI
[QE-users] LDOS imane BEZZAOUI
[QE-users] Symmetry - Centered cell reduction Fnukal Frantisek
[QE-users] Symmetry - Centered cell reduction Paolo Giannozzi
[QE-users] Fwd: LDOS imane BEZZAOUI
[QE-users] Huge difference in the total and Fermi energies in vc-relax, scf and dos Impact Group
[QE-users] Symmetry - Centered cell reduction Fnukal Frantisek
[QE-users] SCF energy rise up from iteration 2 Rameswar Bhattacharjee
[QE-users] Huge difference in the total and Fermi energies in vc-relax, scf and dos Paolo Giannozzi
[QE-users] Convergence tests for slabs Léon Luntadila Lufungula
[QE-users] Convergence tests for slabs Giovanni Cantele
[QE-users] How to define boxes for LDOS calculation? imane BEZZAOUI
[QE-users] Requesting Help With Spin Orbit Coupling Spin-Separated Bands Extraction Manocha, Pratyush
[QE-users] Convergence tests for slabs Léon Luntadila Lufungula
[QE-users] How to define boxes for LDOS calculation? Guido Fratesi
[QE-users] SCF energy rise up from iteration 2 Paolo Giannozzi
[QE-users] SCF energy rise up from iteration 2 Rameswar Bhattacharjee
[QE-users] SCF energy rise up from iteration 2 Tom Demeyere
[QE-users] SCF energy rise up from iteration 2 Rameswar Bhattacharjee
[QE-users] SCF energy rise up from iteration 2 Tom Demeyere
[QE-users] katalitic (Catalyst Research Cloud) International Workshop (Recording) Minkyu Park
[QE-users] Run error of using PBE+D3/M06 functional with libxc 6.0.0 Jibiao Li
[QE-users] Run error of using M06 functional with libxc 6.0.0 Jibiao Li
[QE-users] nosym=.TRUE., input k-points and CELL_PARAMETERS KRISHNENDU MUKHERJEE
[QE-users] normal modes for phonon calculation naval singh
[QE-users] Convergence testing for charge density Léon Luntadila Lufungula
[QE-users] How to define boxes for LDOS calculation? imane BEZZAOUI
[QE-users] Run error of using M06 functional with libxc 6.0.0 Fabrizio Ferrari Ruffino
[QE-users] How to define boxes for LDOS calculation? Guido Fratesi
[QE-users] Run error of using M06 functional with libxc 6.0.0 Jibiao Li
[QE-users] Run error of using M06 functional with libxc 6.0.0 Paolo Giannozzi
[QE-users] How QE calculates Fermi level of an insulator Shenli Zhang
[QE-users] How QE calculates Fermi level of an insulator Paolo Giannozzi
[QE-users] Phonon Dispersion of graphene Md. Jahid Hasan Sagor
[QE-users] Phonon Dispersion of graphene PAULATTO Lorenzo
[QE-users] Out of memory in spin-polarized calculations? Aulia Sukma Hutama
[QE-users] How to define boxes for LDOS calculation? imane BEZZAOUI
[QE-users] Phonon Dispersion of graphene Md. Jahid Hasan Sagor
[QE-users] Phonon Dispersion of graphene Stefano Baroni
[QE-users] Phonon Dispersion of graphene KRISHNENDU MUKHERJEE
[QE-users] Phonon Dispersion of graphene PAULATTO Lorenzo
[QE-users] Lindhard Response Function Ramesh Kumar Kamadurai
[QE-users] Band structure calculation Rameswar Bhattacharjee
[QE-users] pw.x, Green function method, finite size KRISHNENDU MUKHERJEE
[QE-users] Running QE on Amazon Web Services Nurit Manukovsky
[QE-users] Format of the kpoints file 아리담싼니얼
[QE-users] How to specify starting magnetization for different intermediate images in a single NEB input PARVEEN N/A
[QE-users] Band structure calculation Giovanni Cantele
[QE-users] How to specify starting magnetization for different intermediate images in a single NEB input Giuseppe Mattioli
[QE-users] Band structure calculation Rameswar Bhattacharjee
[QE-users] error: from sym_rho_init_shell : lone vector Geng Sun
[QE-users] ph.x Raman calculations Jessica Johnson
[QE-users] [QE-GPU] Problems with error addusdens_gpu : error # 1 cannot allocate aux2_d Nelson Andrés Naveas Ríos

Last message date: Thu Dec 29 17:48:41 CET 2022
Archived on: Thu Dec 29 17:48:53 CET 2022

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