September 2019 Archives by author

Messages sorted by: [ thread ] [ subject ] [ date ]
More info on this list...

Starting: Tue Sep 3 13:39:11 CEST 2019
Ending: Mon Sep 30 19:58:22 CEST 2019
Messages: 164

[QE-users] limit to take U value for DFT+U calculation ROHIT DAHULE 18210068
[QE-users] Would you explain the input file for plotproj.x (or have typical example input file)? ENDALE ABEBE
[QE-users] How to use plotproj.x? ENDALE ABEBE
[QE-users] QE+Wannier90 TERSOO ATSUE
[QE-users] problems in graphene simulation Haider Abbas
[QE-users] Fwd: Virtual atom orbital projected band structure Joao Abreu
[QE-users] Virtual atom projected band structure problem Joao Abreu
[QE-users] Fermi Surface of 2D material Hussain Ali
[QE-users] Runtime GPU memory issue of q-e-gpu- -6.4a1 Pietro BONFA'
[QE-users] Hubbard paramaters calculation with HP module MARIA CATERINA CEVALLOS BRENES
[QE-users] Generate Pseudopotential Stefano Baroni
[QE-users] Generate Pseudopotential Stefano Baroni
[QE-users] =>> PBS: job killed: walltime 172854 exceeded limit 172800 . how can i correct this error. Kwaoallan Blaze
[QE-users] 回复: Plasmons Kwaoallan Blaze
[QE-users] 回复: Plasmons Kwaoallan Blaze
[QE-users] 回复: Plasmons Kwaoallan Blaze
[QE-users] 回复: Plasmons Kwaoallan Blaze
[QE-users] Bands.x Mayuri Bora
[QE-users] users Digest, Vol 146, Issue 15 Mayuri Bora
[QE-users] bad convergence in field-effect configuration calculations Dr. Thomas Brumme
[QE-users] bad convergence in field-effect configuration calculations Dr. Thomas Brumme
[QE-users] Fermi Surface of 2D material Dr. Thomas Brumme
[QE-users] Fwd: Error while parsing atomic position card Giovanni Cantele
[QE-users] =>> PBS: job killed: walltime 172854 exceeded limit 172800 . how can i correct this error. Giovanni Cantele
[QE-users] Unfolding Band Structure using BandUp Samar Chand
[QE-users] Unfolding Band Structure using BandUp Samar Chand
[QE-users] postoc position at UT Austin Long Cheng
[QE-users] limit to take U value for DFT+U calculation Andrey Chibisov
[QE-users] Ce19O32 cluster does not convergence Andrey Chibisov
[QE-users] Ce19O32 cluster does not convergence Andrey Chibisov
[QE-users] Ce19O32 cluster does not convergence Andrey Chibisov
[QE-users] error in Electron localization function and charge density minus superposition of atomic densities LEUNG Clarence
[QE-users] Error in difference charge density LEUNG Clarence
[QE-users] limit to take U value for DFT+U calculation Matteo Cococcioni
[QE-users] Hubbard paramaters calculation with HP module Matteo Cococcioni
[QE-users] What Is Estimated SCF Accuracy Ben Comer
[QE-users] What Is Estimated SCF Accuracy Ben Comer
[QE-users] What Is Estimated SCF Accuracy Ben Comer
[QE-users] What Is Estimated SCF Accuracy Ben Comer
[QE-users] Ce19O32 cluster does not convergence José C. Conesa
[QE-users] huge imaginary phonon frequencies Fabrizio Cossu
[QE-users] Parallelism PH.x calculation with fildvscf option Fabio Costa
[QE-users] Error during compilation in the step of make all command Will DeBenedetti
[QE-users] Error during compilation in the step of make all command Will DeBenedetti
[QE-users] Error during compilation in the step of make all command Will DeBenedetti
[QE-users] Error during compilation in the step of make all command Will DeBenedetti
[QE-users] What might be the best way to calculate equation of state of crystal unitcell in current QE? Will DeBenedetti
[QE-users] Regarding Installation of Quantum Espresso 6.4.1 Jyotirmoy Deb
[QE-users] Structural stability problem Pietro Davide Delugas
[QE-users] Optical properties Mehmet ERDEM
[QE-users] MO6-L functional Yves Ferro
[QE-users] igk_k , davcio, evc and wfck2r.f90 Paolo Giannozzi
[QE-users] igk_k , davcio, evc and wfck2r.f90 Paolo Giannozzi
[QE-users] NEB images with different cell parameters possible? Paolo Giannozzi
[QE-users] PW_EXPORT on versino >6.4 Paolo Giannozzi
[QE-users] Angular parts of beta projectors Paolo Giannozzi
[QE-users] 回复: Plasmons Paolo Giannozzi
[QE-users] Error during compilation in the step of make all command Paolo Giannozzi
[QE-users] Error during compilation in the step of make all command Paolo Giannozzi
[QE-users] Error during compilation in the step of make all command Paolo Giannozzi
[QE-users] plot_num=1 in QE_6.4.1?==?utf-8?q? pp.x not the same as 6.3 Paolo Giannozzi
[QE-users] fcc cell parameters Paolo Giannozzi
[QE-users] Segmentation fault - invalid memory reference Paolo Giannozzi
[QE-users] error in Electron localization function and charge density minus superposition of atomic densities Paolo Giannozzi
[QE-users] users Digest, Vol 146, Issue 15 Paolo Giannozzi
[QE-users] Segmentation fault - invalid memory reference Paolo Giannozzi
[QE-users] What Is Estimated SCF Accuracy Paolo Giannozzi
[QE-users] What Is Estimated SCF Accuracy Paolo Giannozzi
[QE-users] problems in graphene simulation Paolo Giannozzi
[QE-users] Projwfc.x , n_proj_boxes error Paolo Giannozzi
[QE-users] Ce19O32 cluster does not convergence Paolo Giannozzi
[QE-users] Projwfc.x , n_proj_boxes error Paolo Giannozzi
[QE-users] What Is Estimated SCF Accuracy Stefano de Gironcoli
[QE-users] Ce19O32 cluster does not convergence Stefano de Gironcoli
[QE-users] Generate Pseudopotential Muhammad Yusrul Hanna
[QE-users] Angular parts of beta projectors Tommi Höynälänmaa
[QE-users] Angular parts of beta projectors Tommi Höynälänmaa
[QE-users] Hubbard paramaters calculation with HP module Timrov Iurii
[QE-users] hp.x code overestimates Hubbard U value Timrov Iurii
[QE-users] hp.x code overestimates Hubbard U value Timrov Iurii
[QE-users] hp.x code overestimates Hubbard U value Timrov Iurii
[QE-users] turbo_lanczos input file Timrov Iurii
[QE-users] visualising vibrations from the results of phonon calculations Timrov Iurii
[QE-users] NEB images with different cell parameters possible? A. Jain
[QE-users] NEB images with different cell parameters possible? A. Jain
[QE-users] Electron_phonon on semiconductors with smearing Antoine Jay
[QE-users] PW_EXPORT on versino >6.4 Antoine Jay
[QE-users] plot_num=1 in QE_6.4.1?==?utf-8?q? pp.x not the same as 6.3 Antoine Jay
[QE-users] ?==?utf-8?q? ?==?utf-8?q? plot_num=1 in QE_6.4.1?=?==?utf-8?q? pp.x not the same as 6. Antoine Jay
[QE-users] 回复: Plasmons Zhou Jianqiang
[QE-users] visualising vibrations from the results of phonon calculations Tone Kokalj
[QE-users] fcc cell parameters David Kostov
[QE-users] please add me to the list David Kostov
[QE-users] Fw: fcc cell parameters David Kostov
[QE-users] Can we do LDA+U with SOC for FM/AFM systems in QE David Kostov
[QE-users] Fw: Can we do LDA+U with SOC for FM/AFM systems in QE David Kostov
[QE-users] Materials Square: Easy-to-use web based materials simulation platform Minho Lee
[QE-users] igk_k , davcio, evc and wfck2r.f90 Aritz Leonardo
[QE-users] igk_k , davcio, evc and wfck2r.f90 Aritz Leonardo
[QE-users] Structural stability problem Nicola Marzari
[QE-users] magnetic susceptibility Masumeh
[QE-users] NEB images with different cell parameters possible? Giuseppe Mattioli
[QE-users] Ce19O32 cluster does not convergence Giuseppe Mattioli
[QE-users] Projected DOS, and sumpdos.x for noncollinear calculation Lucas Nicolás Lodeiro Moraga
[QE-users] Projwfc.x , n_proj_boxes error Lucas Nicolás Lodeiro Moraga
[QE-users] 回复: Plasmons Oleksandr Motornyi
[QE-users] 回复: Plasmons Oleksandr Motornyi
[QE-users] Unfolding Band Structure using BandUp Oleksandr Motornyi
[QE-users] Fermi Surface of 2D material Mukhtar
[QE-users] hp.x code overestimates Hubbard U value Marzari Nicola
[QE-users] Error during compilation in the step of make all command Marzari Nicola
[QE-users] NEB images with different cell parameters Aleksandra Oranskaia
[QE-users] Alternatives to lsign for noncollinear calculations. Vasilios Passias
[QE-users] dielectric constant calculation Lorenzo Paulatto
[QE-users] Can we calculate pressure from just relaxation result? Lorenzo Paulatto
[QE-users] Electron freezing Lorenzo Paulatto
[QE-users] Fw: Can we do LDA+U with SOC for FM/AFM systems in QE Lorenzo Paulatto
[QE-users] optimization lattice constants of charged single layer 2d metallic materials Bin Shao
[QE-users] bad convergence in field-effect configuration calculations Bin Shao
[QE-users] bad convergence in field-effect configuration calculations Bin Shao
[QE-users] bad convergence in field-effect configuration calculations Bin Shao
[QE-users] Convergence of Ecutwfc and Ecutrho for Doublet Occupation Scheme Brendan Smith
[QE-users] hp.x code overestimates Hubbard U value Soumyadeep
[QE-users] hp.x code overestimates Hubbard U value Soumyadeep
[QE-users] hp.x code overestimates Hubbard U value Soumyadeep
[QE-users] VC-relax in polar materials Eric Glen Suter
[QE-users] visualising vibrations from the results of phonon calculations Yohei Uemura
[QE-users] dielectric constant calculation Jay Wai
[QE-users] Convergence of calculating Hubbard parameters from DFPT Gaoxue Wang
[QE-users] Structural stability problem Gui Wei
[QE-users] MO6-L functional Offermans Willem
[QE-users] MO6-L functional Offermans Willem
[QE-users] dielectric constant calculation Christoph Wolf
[QE-users] Convergence of calculating Hubbard parameters from DFPT Christoph Wolf
[QE-users] problems in graphene simulation Christoph Wolf
[QE-users] Can we calculate pressure from just relaxation result? Yeon, Jejoon
[QE-users] What might be the best way to calculate equation of state of crystal unitcell in current QE? Yeon, Jejoon
[QE-users] Fwd: Error while parsing atomic position card hamed asadi
[QE-users] Runtime GPU memory issue of q-e-gpu- -6.4a1 xh14
[QE-users] pseudo-potential foudil zaabar
[QE-users] convergence in NEB mehrdad zamzamian
[QE-users] NEB calculation mehrdad zamzamian
[QE-users] NEB calculation mehrdad zamzamian
[QE-users] Plasmons kazem zhour
[QE-users] turbo_lanczos input file kazem zhour
[QE-users] Electron freezing kazem zhour
[QE-users] QE+Wannier90 zhy
[QE-users] QE+Wannier90 zhy
[QE-users] Segmentation fault - invalid memory reference 杨世隆
[QE-users] Segmentation fault - invalid memory reference 杨世隆
[QE-users] Error during compilation in the step of make all command 林聖智
[QE-users] Error during compilation in the step of make all command 林聖智
[QE-users] Error during compilation in the step of make all command 林聖智
[QE-users] Error during compilation in the step of make all command 林聖智
[QE-users] Error during compilation in the step of make all command 林聖智
[QE-users] Error during compilation in the step of make all command 林聖智
[QE-users] Error during compilation in the step of make all command 林聖智
[QE-users] Error during compilation in the step of make all command 林聖智
[QE-users] Error during compilation in the step of make all command 林聖智
[QE-users] Error during compilation in the step of make all command 林聖智
[QE-users] Error during compilation in the step of make all command 林聖智
[QE-users] Error during compilation in the step of make all command 林聖智
[QE-users] Error during compilation in the step of make all command 林聖智
[QE-users] Error during compilation in the step of make all command 林聖智

Last message date: Mon Sep 30 19:58:22 CEST 2019
Archived on: Mon Sep 30 19:58:18 CEST 2019

Messages sorted by: [ thread ] [ subject ] [ date ]
More info on this list...

This archive was generated by Pipermail 0.09 (Mailman edition).