April 2018 Archives by author

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Starting: Tue Apr 3 14:10:21 CEST 2018
Ending: Mon Apr 30 00:46:07 CEST 2018
Messages: 123

[QE-users] Phono spectrum totally different using QE5.2 and QE6.0 Sohail Ahmad
[QE-users] Error in routine ggen too many g-vectors Sohail Ahmad
[QE-users] magnetism in hematite (alpha-Fe2O3) Yasser Fowad AlWahedi
[QE-users] Relevance of electron-phonon at Gamma only for defects in bulk JAY Antoine
[QE-users] exchange enhancement factor Sam Azadi
[QE-users] Large difference between lattice structure simulated by pwscf code and cp.x code Stefano Baroni
[QE-users] query regarding &SYSTEM card in case of half metal Dr. K. C. Bhamu
[QE-users] query regarding &SYSTEM card in case of half metal Dr. K. C. Bhamu
[QE-users] QHA Error: from find_min_mur_pol : error # 1 minimum not found Sitangshu Bhattacharya
[QE-users] Why does the difference between VASP and QE, even though they are BOMD theory Dr. Thomas Brumme
[QE-users] Plotband.x .ps output only display dot Dr. Thomas Brumme
[QE-users] Plotband.x .ps output only display dot Dr. Thomas Brumme
[QE-users] phonon calculations on polar slabs - imaginary modes Thomas Brumme
[QE-users] Dipole corrections (dipfield) and the position of the slab Thomas Brumme
[QE-users] Dipole corrections (dipfield) and the position of the slab Thomas Brumme
[QE-users] Error in routine ggen too many g-vectors Thomas Brumme
[QE-users] PP.x page not found Giovanni Cantele
[QE-users] possible little bug in post-processing + electric field ? Giovanni Cantele
[QE-users] possible little bug in post-processing + electric field ? Giovanni Cantele
[QE-users] possible little bug in post-processing + electric field ? Giovanni Cantele
[QE-users] Transferred hyperfine coupling constants in TM-oxides Davide Ceresoli
[QE-users] Isosurface electron density Rajneesh Chaurasiya
[QE-users] Pseudopotenteal Rajneesh Chaurasiya
[QE-users] Direction of ferroelectric polarization Rajneesh Chaurasiya
[QE-users] Direction of ferroelectric polarization Rajneesh Chaurasiya
[QE-users] Huge memory storage Rajneesh Chaurasiya
[QE-users] Huge memory storage Rajneesh Chaurasiya
[QE-users] Huge memory storage Rajneesh Chaurasiya
[QE-users] Huge memory storage Rajneesh Chaurasiya
[QE-users] Potential issue with charge density cutoff convergence and K-point grid convergence Jia Chen
[QE-users] Error when running ph.x LEUNG Clarence
[QE-users] Why does the difference between VASP and QE, even though they are BOMD theory Pietro Delugas
[QE-users] QE 6.2.1 HDF5 Pietro Delugas
[QE-users] possible little bug in post-processing + electric field ? Pietro Delugas
[QE-users] running example problem Pietro Delugas
[QE-users] Error in scalartorealdp, Too few elements found Pietro Davide Delugas
[QE-users] exchange enhancement factor Paolo Giannozzi
[QE-users] Subscription Paolo Giannozzi
[QE-users] DFT-D3 in Quantum espresso Paolo Giannozzi
[QE-users] Huge memory storage Paolo Giannozzi
[QE-users] Huge memory storage Paolo Giannozzi
[QE-users] Huge memory storage Paolo Giannozzi
[QE-users] Q-E-6.0.0 pw.x segmentation fault Paolo Giannozzi
[QE-users] Q-E-6.0.0 pw.x segmentation fault Paolo Giannozzi
[QE-users] Error in routine ggen too many g-vectors Paolo Giannozzi
[QE-users] Large difference between lattice structure simulated by pwscf code and cp.x code Stefano de Gironcoli
[QE-users] NVE simulation in cp.x - large fluctuation in temperature Stefano de Gironcoli
[QE-users] NVE simulation in cp.x - large fluctuation in temperature Stefano de Gironcoli
[QE-users] Potential issue with charge density cutoff convergence and K-point grid convergence Stefano de Gironcoli
[QE-users] Potential issue with charge density cutoff convergence and K-point grid convergence Stefano de Gironcoli
[QE-users] QE 6.2.1 HDF5 Alfredo Guevara
[QE-users] Transferred hyperfine coupling constants in TM-oxides Kris Harris
[QE-users] Transferred hyperfine coupling constants in TM-oxides Kris Harris
[QE-users] Plotband.x .ps output only display dot Manu Hegde
[QE-users] Plotband.x .ps output only display dot Manu Hegde
[QE-users] possible little bug in post-processing + electric field ? Manoar Hossain
[QE-users] PP.x page not found Mohammadreza Hosseini
[QE-users] O_ad(O-adsorption) is not binding at bridge position on Pt-surface Venkataramana Imandi
[QE-users] O_ad(O-adsorption) is not binding at bridge position on Pt-surface Venkataramana Imandi
[QE-users] O_ad(O-adsorption) is not binding at bridge position on Pt-surface Venkataramana Imandi
[QE-users] O_ad(O-adsorption) is not binding at bridge position on Pt-surface Venkataramana Imandi
[QE-users] Why does the difference between VASP and QE, even though they are BOMD theory Venkataramana Imandi
[QE-users] meaning "Note: The following floating-point exceptions are signalling" Subrata Jana
[QE-users] Error in scalartorealdp, Too few elements found Ali Kamrani
[QE-users] Why does the difference between VASP and QE, even though they are BOMD theory Tone Kokalj
[QE-users] Fermi energy for DOS calculation Yogesh Kumar
[QE-users] Inconsistent total energy between different version Duy Le
[QE-users] Inconsistent total energy between different version Duy Le
[QE-users] Potential issue with charge density cutoff convergence and K-point grid convergence Martina Lessio
[QE-users] Potential issue with charge density cutoff convergence and K-point grid convergence Martina Lessio
[QE-users] Potential issue with charge density cutoff convergence and K-point grid convergence Martina Lessio
[QE-users] Potential issue with charge density cutoff convergence and K-point grid convergence Martina Lessio
[QE-users] Potential issue with charge density cutoff convergence and K-point grid convergence Martina Lessio
[QE-users] Potential issue with charge density cutoff convergence and K-point grid convergence Martina Lessio
[QE-users] DFT-D3 in Quantum espresso Layla Martin-Samos
[QE-users] DFT-D3 in Quantum espresso Giuseppe Mattioli
[QE-users] Potential issue with charge density cutoff convergence and K-point grid convergence Giuseppe Mattioli
[QE-users] Inconsistent total energy between different version Kevin May
[QE-users] cholesky Error Amin Mirzai
[QE-users] cholesky Error Amin Mirzai
[QE-users] cholesky Error Amin Mirzai
[QE-users] gradients with charge compensation Aleksandra Oranskaia
[QE-users] band structure with hybrid functional HSE Lorenzo Paulatto
[QE-users] cholesky Error Lorenzo Paulatto
[QE-users] Fermi energy for DOS calculation Lorenzo Paulatto
[QE-users] Large difference between lattice structure simulated by pwscf code and cp.x code Jie Peng
[QE-users] Large difference between lattice structure simulated by pwscf code and cp.x code Jie Peng
[QE-users] Large difference between lattice structure simulated by pwscf code and cp.x code Jie Peng
[QE-users] NVE simulation in cp.x - large fluctuation in temperature Jie Peng
[QE-users] NVE simulation in cp.x - large fluctuation in temperature Jie Peng
[QE-users] Cell temperature in NPT simulations using cp.x Jie Peng
[QE-users] Tutorial on high-throughput computations using AiIDA: deadline approaching Giovanni Pizzi
[QE-users] running example problem Marco Polo
[QE-users] Q-E-6.0.0 pw.x segmentation fault Erland Rachmad
[QE-users] Q-E-6.0.0 pw.x segmentation fault Erland Rachmad
[QE-users] Q-E-6.0.0 pw.x segmentation fault Erland Rachmad
[QE-users] Plotband.x .ps output only display dot Erland Rachmad
[QE-users] Plotband.x .ps output only display dot Erland Rachmad
[QE-users] Subscription Pablo García Risueño
[QE-users] phonon calculations on polar slabs - imaginary modes Ilya Ryabinkin
[QE-users] Relativistic DFT Malte Sachs
[QE-users] One_atom_occupations with norm-conserving pseudopotentials and complex spherical harmonics Kayahan Saritas
[QE-users] band structure with hybrid functional HSE stefan.seidl at physik.uni-regensburg.de (Stefan Seidl)
[QE-users] Antw: Re: band structure with hybrid functional HSE Stefan Seidl
[QE-users] O_ad(O-adsorption) is not binding at bridge position on Pt-surface Ari P Seitsonen
[QE-users] O_ad(O-adsorption) is not binding at bridge position on Pt-surface Ari P Seitsonen
[QE-users] NVE simulation in cp.x - large fluctuation in temperature Ari P Seitsonen
[QE-users] submissions Muhammad Shadman
[QE-users] DFT-D3 in Quantum espresso Priya Shrivastava
[QE-users] PP.x page not found Laurens Siemons
[QE-users] cholesky Error Laurens Siemons
[QE-users] GWL FFT questions Eric Glen Suter
[QE-users] HSE bandstructure plotting KuangChung Wang
[QE-users] HSE bandstructure plotting KuangChung Wang
[QE-users] phonon calculations on polar slabs - imaginary modes Christoph Wolf
[QE-users] Dipole corrections (dipfield) and the position of the slab Christoph Wolf
[QE-users] Dipole corrections (dipfield) and the position of the slab Christoph Wolf
[QE-users] magnetism in hematite (alpha-Fe2O3) Mostafa Youssef
[QE-users] magnetism in hematite (alpha-Fe2O3) Mostafa Youssef
[QE-users] magnetism in hematite (alpha-Fe2O3) Mostafa Youssef
[QE-users] Require help with SCF convergence sayan chaudhuri
[QE-users] meaning "Note: The following floating-point exceptions are signalling" tahsin özer
[QE-users] Error in routine frc_blk (1): wrong total_weight 方子明

Last message date: Mon Apr 30 00:46:07 CEST 2018
Archived on: Mon Apr 30 00:45:49 CEST 2018

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