April 2019 Archives by author

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Starting: Mon Apr 1 04:18:10 CEST 2019
Ending: Tue Apr 30 22:19:07 CEST 2019
Messages: 223

[QE-users] error in turbo_lanczos step Mohamed Ahmed Abd-Elati
[QE-users] installation QE with mpi Mohamed Ahmed Abd-Elati
[QE-users] installation QE with mpi Mohamed Ahmed Abd-Elati
[QE-users] Re-use of charge density don't give exactely the same result in scf JAY Antoine
[QE-users] Tetragolan atomic position Vahid Askarpour
[QE-users] [SUSPECT ATTACHMENT REMOVED] unefficient parallelization of scf calculation Julien Barbaud
[QE-users] unefficient parallelization of scf calculation Julien Barbaud
[QE-users] error in turbo_lanczos step Oscar Baseggio
[QE-users] Ab-Initio Thermal Transport Arihant Bhandari
[QE-users] (no subject) Mauricio Rincón Bonilla
[QE-users] iotk cannot read Li PPs Mauricio Rincón Bonilla
[QE-users] fft order too large Dr. Thomas Brumme
[QE-users] fft order too large Dr. Thomas Brumme
[QE-users] Optimization does not converge Thomas Brumme
[QE-users] unefficient parallelization of scf calculation Thomas Brumme
[QE-users] unefficient parallelization of scf calculation Thomas Brumme
[QE-users] fft order too large Thomas Brumme
[QE-users] fft order too large Thomas Brumme
[QE-users] query on number of k points in nscf Giovanni Cantele
[QE-users] query on number of k points in nscf Giovanni Cantele
[QE-users] Enquiry about the Computation of Graphene/Co Giovanni Cantele
[QE-users] Enquiry about the Computation of Graphene/Co Giovanni Cantele
[QE-users] vc-relax for orthorhombic systems Davide Ceresoli
[QE-users] How to reduce a memory for pwcond routine Andrey Chibisov
[QE-users] Crystallographic group determination José Carlos Conesa
[QE-users] forcing Sn(iv) or Sn(0) charges in a MASnI3 crystal José Carlos Conesa
[QE-users] Compilation on a server ends with error 1 Fabio Costa
[QE-users] Compilation on a server ends with error 1 Fabio Costa
[QE-users] Compilation on a server ends with error 1 Fabio Costa
[QE-users] Norm Conserving Pseudopotential - For Tungsten (W) - LDA BARRETEAU Cyrille
[QE-users] Re-use of charge density don't give exactely the same result in scf Pietro Delugas
[QE-users] Re-use of charge density don't give exactely the same result in scf Pietro Delugas
[QE-users] read errors of phonon calcuations Pietro Delugas
[QE-users] forrtl: severe (71): integer divide by zero QE 6.4.1 Pietro Delugas
[QE-users] forrtl: severe (71): integer divide by zero QE 6.4.1 Pietro Delugas
[QE-users] Compilation on a server ends with error 1 Pietro Davide Delugas
[QE-users] Enquiry about the Choice for the Pseudopotential Pietro Davide Delugas
[QE-users] Kenan Song shared "Files for Quantum Espresso" with you Kenan Song (via Dropbox)
[QE-users] Kenan Song shared "Gr3LCo.relax.in" with you Kenan Song (via Dropbox)
[QE-users] Kenan Song shared "Gr3LCo.relax.out" with you Kenan Song (via Dropbox)
[QE-users] Kenan Song shared "Gr3LCo.scf.in" with you Kenan Song (via Dropbox)
[QE-users] Kenan Song shared "Gr3LCo.scf.out" with you Kenan Song (via Dropbox)
[QE-users] Kenan Song shared "Gr3LCo.plotbands.out" with you Kenan Song (via Dropbox)
[QE-users] Kenan Song shared "Gr3LCo.plotbands.in" with you Kenan Song (via Dropbox)
[QE-users] Kenan Song shared "Gr3LCo.bands.in" with you Kenan Song (via Dropbox)
[QE-users] Kenan Song shared "Gr3LCo.nscf.in" with you Kenan Song (via Dropbox)
[QE-users] Kenan Song shared "Gr3LCo.bands.out" with you Kenan Song (via Dropbox)
[QE-users] Kenan Song shared "Gr3LCo.nscf.out" with you Kenan Song (via Dropbox)
[QE-users] Phonon calculations stopped unexpectedly Artur Durajski
[QE-users] Projection over atomic states are not normalized. Seyed Mohammad Farzaneh
[QE-users] Calculate el-ph interactions from external IFCs Hao Gao
[QE-users] Convergence of dexx using hybrid functionals Prasenjit Ghosh
[QE-users] Convergence of dexx using hybrid functionals Prasenjit Ghosh
[QE-users] Convergence of dexx using hybrid functionals Prasenjit Ghosh
[QE-users] Convergence of dexx using hybrid functionals Prasenjit Ghosh
[QE-users] Convergence of dexx using hybrid functionals Paolo Giannozzi
[QE-users] Re-use of charge density don't give exactely the same result in scf Paolo Giannozzi
[QE-users] (no subject) Paolo Giannozzi
[QE-users] Quantum ESPRESSO v.6.4.1 Paolo Giannozzi
[QE-users] Compilation on a server ends with error 1 Paolo Giannozzi
[QE-users] Error in routine davcio at beginning of phonon calculation Paolo Giannozzi
[QE-users] [SUSPECT ATTACHMENT REMOVED] unefficient parallelization of scf calculation Paolo Giannozzi
[QE-users] "vc-relax" and "relax" with hybrids Paolo Giannozzi
[QE-users] "molecule in a box" - dependence of results on position? Paolo Giannozzi
[QE-users] File-write problems in neb.x (6.4 and higher) Paolo Giannozzi
[QE-users] File-write problems in neb.x (6.4 and higher) Paolo Giannozzi
[QE-users] File-write problems in neb.x (6.4 and higher) Paolo Giannozzi
[QE-users] Wyckoff site 8f missing from group 15 Paolo Giannozzi
[QE-users] Phonon calculations stopped unexpectedly Paolo Giannozzi
[QE-users] Symmetry Errors of Phonon calculations appear Paolo Giannozzi
[QE-users] Symmetry Errors of Phonon calculations appear Paolo Giannozzi
[QE-users] read errors of phonon calcuations Paolo Giannozzi
[QE-users] read errors of phonon calcuations Paolo Giannozzi
[QE-users] Change in temperature control for md simulation in QE 6.4.1 compared with 6.3 -- perhaps instead an issue with detecting symmetry?? Paolo Giannozzi
[QE-users] Change in temperature control for md simulation in QE 6.4.1 compared with 6.3 -- perhaps instead an issue with detecting symmetry?? Paolo Giannozzi
[QE-users] Si Band Calculation Paolo Giannozzi
[QE-users] fft order too large Paolo Giannozzi
[QE-users] Inconsistency between DOS and Band structure Paolo Giannozzi
[QE-users] Structure optimization using rvv10-scan Paolo Giannozzi
[QE-users] fft order too large Paolo Giannozzi
[QE-users] fft order too large Paolo Giannozzi
[QE-users] Problem in using meta-GGA function in QE6.4.1 Paolo Giannozzi
[QE-users] Structure optimization using rvv10-scan Paolo Giannozzi
[QE-users] Average.x Input in WorkFct_example Paolo Giannozzi
[QE-users] installation QE with mpi Paolo Giannozzi
[QE-users] scan with paw Paolo Giannozzi
[QE-users] Config for pseudopotential generation Paolo Giannozzi
[QE-users] Installation verification Paolo Giannozzi
[QE-users] cell_dofree with BFGS relaxation Paolo Giannozzi
[QE-users] Problem in using meta-GGA function in QE6.4.1 Paolo Giannozzi
[QE-users] Installation verification Paolo Giannozzi
[QE-users] installation QE with mpi Paolo Giannozzi
[QE-users] Norm Conserving Pseudopotential - For Tungsten (W) - LDA Gopalan, Sanjay
[QE-users] computational efficiency with CPMD Lu Hailin
[QE-users] the error when running MD simulation with ensemble_DFT Lu Hailin
[QE-users] Increasing gradient precision Hermes, Eric
[QE-users] Change in temperature control for md simulation in QE 6.4.1 compared with 6.3 Holzwarth, Natalie
[QE-users] Change in temperature control for md simulation in QE 6.4.1 compared with 6.3 -- perhaps instead an issue with detecting symmetry?? Holzwarth, Natalie
[QE-users] Change in temperature control for md simulation in QE 6.4.1 compared with 6.3 -- perhaps instead an issue with detecting symmetry?? Holzwarth, Natalie
[QE-users] forrtl: severe (71): integer divide by zero QE 6.4.1 IORI, Federico
[QE-users] forrtl: severe (71): integer divide by zero QE 6.4.1 IORI, Federico
[QE-users] [Q-users] how to plot the correct band gap for Cu2o material Ismail Ibrahim
[QE-users] users Digest, Vol 139, Issue 1 Timrov Iurii
[QE-users] [SUSPECT ATTACHMENT REMOVED] unefficient parallelization of scf calculation JULIEN, CLAUDE, PIERRE BARBAUD
[QE-users] unefficient parallelization of scf calculation JULIEN, CLAUDE, PIERRE BARBAUD
[QE-users] forcing Sn(iv) or Sn(0) charges in a MASnI3 crystal JULIEN, CLAUDE, PIERRE BARBAUD
[QE-users] forcing Sn(iv) or Sn(0) charges in a MASnI3 crystal JULIEN, CLAUDE, PIERRE BARBAUD
[QE-users] Error with SSSP Efficiency (version 1.0) Pseudopotentials Karmodak, Naiwrit
[QE-users] Average.x Input in WorkFct_example Lance Kavalsky
[QE-users] Summer School on Advanced Materials and Molecular Modelling with QUANTUM ESPRESSO Tone Kokalj
[QE-users] assume_isolated=2D Michal Krompiec
[QE-users] assume_isolated=2D Michal Krompiec
[QE-users] Phonon calculations stopped unexpectedly Jibiao Li
[QE-users] Symmetry Errors of Phonon calculations appear Jibiao Li
[QE-users] Symmetry Errors of Phonon calculations appear Jibiao Li
[QE-users] read errors of phonon calcuations Jibiao Li
[QE-users] read errors of phonon calcuations Jibiao Li
[QE-users] read errors of phonon calcuations Jibiao Li
[QE-users] cell_dofree with BFGS relaxation Daniel Marchand
[QE-users] cell_dofree with BFGS relaxation Daniel Marchand
[QE-users] cell_dofree with BFGS relaxation Daniel Marchand
[QE-users] The error when running MD simulation with ensemble_DFT Nicola Marzari
[QE-users] ?==?utf-8?q? vc-relax fixing ibrav Ing. Martin Matas
[QE-users] vc-relax for orthorhombic systems Giuseppe Mattioli
[QE-users] "vc-relax" and "relax" with hybrids Giuseppe Mattioli
[QE-users] "vc-relax" and "relax" with hybrids Giuseppe Mattioli
[QE-users] "vc-relax" and "relax" with hybrids Giuseppe Mattioli
[QE-users] "vc-relax" and "relax" with hybrids Giuseppe Mattioli
[QE-users] "vc-relax" and "relax" with hybrids Giuseppe Mattioli
[QE-users] Pressure difference from the vc-relax and SCF Mofrad, Amir Mehdi (MU-Student)
[QE-users] Si Band Calculation Oleksandr Motornyi
[QE-users] 2D band surface plot Oleksandr Motornyi
[QE-users] Problem in using meta-GGA function in QE6.4.1 Shoaib Muhammad
[QE-users] qe-6-4: fs.x is not generating the file "prefix"_fs.bxsf Pacome NGUIMEYA
[QE-users] Spin-orbit coupling (SOC) calculation with ultrasoft pseudopotential (USPP) using QE? Pacome NGUIMEYA
[QE-users] Installation with custom version of OpenMPI Mahmood Naderan
[QE-users] Installation verification Mahmood Naderan
[QE-users] Installation verification Mahmood Naderan
[QE-users] forcing Sn(iv) or Sn(0) charges in a MASnI3 crystal Marzari Nicola
[QE-users] forcing Sn(iv) or Sn(0) charges in a MASnI3 crystal Marzari Nicola
[QE-users] vc-relax for orthorhombic systems Aleksandra Oranskaia
[QE-users] vc-relax for orthorhombic systems Aleksandra Oranskaia
[QE-users] vc-relax for orthorhombic systems Aleksandra Oranskaia
[QE-users] in-plane and out-of-plane projection of phonon DOS Hari Paudyal
[QE-users] Symmetry Operations in Reciprocal Space Lorenzo Paulatto
[QE-users] ?==?utf-8?q? vc-relax fixing ibrav Lorenzo Paulatto
[QE-users] Convergence of dexx using hybrid functionals Lorenzo Paulatto
[QE-users] vc-relax for orthorhombic systems Lorenzo Paulatto
[QE-users] query on number of k points in nscf Lorenzo Paulatto
[QE-users] vc-relax for orthorhombic systems Lorenzo Paulatto
[QE-users] Quantum ESPRESSO v.6.4.1 Lorenzo Paulatto
[QE-users] Symmetry Errors of Phonon calculations appear Lorenzo Paulatto
[QE-users] Symmetry Errors of Phonon calculations appear Lorenzo Paulatto
[QE-users] Change in temperature control for md simulation in QE 6.4.1 compared with 6.3 -- perhaps instead an issue with detecting symmetry?? Lorenzo Paulatto
[QE-users] Error with IFC generation Lorenzo Paulatto
[QE-users] Spin-orbit coupling (SOC) calculation with ultrasoft pseudopotential (USPP) using QE? Lorenzo Paulatto
[QE-users] How can I reproduce correct phonon frequencies ? Lorenzo Paulatto
[QE-users] forrtl: severe (71): integer divide by zero QE 6.4.1 Lorenzo Paulatto
[QE-users] forrtl: severe (71): integer divide by zero QE 6.4.1 Lorenzo Paulatto
[QE-users] Calculate el-ph interactions from external IFCs Lorenzo Paulatto
[QE-users] cell_dofree with BFGS relaxation Lorenzo Paulatto
[QE-users] cell_dofree with BFGS relaxation Lorenzo Paulatto
[QE-users] Compilation on a server ends with error 1 Giovanni Pizzi
[QE-users] Error with IFC generation Aliya Qureshi
[QE-users] Pseudopotential type is different in the website description and in the file Rajesh Raju
[QE-users] "vc-relax" and "relax" with hybrids Lukas Razinkovas
[QE-users] "vc-relax" and "relax" with hybrids Lukas Razinkovas
[QE-users] "vc-relax" and "relax" with hybrids Lukas Razinkovas
[QE-users] "vc-relax" and "relax" with hybrids Lukas Razinkovas
[QE-users] Wyckoff site 8f missing from group 15 Giovani Rech
[QE-users] Wyckoff site 8f missing from group 15 Giovani Rech
[QE-users] Structure optimization using rvv10-scan Giovani Rech
[QE-users] Si Band Calculation JASON M SCHEELER
[QE-users] Si Band Calculation JASON M SCHEELER
[QE-users] Si Band Calculation JASON M SCHEELER
[QE-users] High symmetry k-point's x coordinate Chandraprakash Samariya
[QE-users] High symmetry k-point's x coordinate Chandraprakash Samariya
[QE-users] Crystallographic group determination Ankit Sharma
[QE-users] Installation of QE in cluster based server remotely Reza Shojaei
[QE-users] File-write problems in neb.x (6.4 and higher) Ian Shuttleworth
[QE-users] File-write problems in neb.x (6.4 and higher) Ian Shuttleworth
[QE-users] File-write problems in neb.x (6.4 and higher) Ian Shuttleworth
[QE-users] assume_isolated=2D Thibault Sohier
[QE-users] Tetragolan atomic position Mahsa Soltani
[QE-users] vc-relax fixing ibrav Joaquim Jornet Somoza
[QE-users] ?==?utf-8?q? vc-relax fixing ibrav Joaquim Jornet Somoza
[QE-users] Enquiry about the Choice for the Pseudopotential Kenan Song
[QE-users] Enquiry about the Computation of Graphene/Co Kenan Song
[QE-users] Enquiry about the Computation of Graphene/Co Kenan Song
[QE-users] Enquiry about the Choice for the Pseudopotential Kenan Song
[QE-users] Regarding GIPAW reconstruction of Ultrasoft PP's of Psilibrary Soumyadeep
[QE-users] Config for pseudopotential generation Pamela Svensson
[QE-users] DOS and PDOS not same Shishir Timilsena
[QE-users] Inconsistency between DOS and Band structure Shishir Timilsena
[QE-users] Lowden charge values Shishir Timilsena
[QE-users] What is the difference between Pressure of Nuclei and Pressure Total in CPMD ? Nam Tran
[QE-users] Rotated Lattice defined by CELL_PARAMETERS Yunzhe Wang
[QE-users] Optimization does not converge Gui Wei
[QE-users] Optimization does not converge Gui Wei
[QE-users] calculation of Hund's J (linear response method) Christoph Wolf
[QE-users] "molecule in a box" - dependence of results on position? Christoph Wolf
[QE-users] How can I reproduce correct phonon frequencies ? Atsushi Yamada
[QE-users] How can I reproduce correct phonon frequencies ? Atsushi Yamada
[QE-users] Format of filp output file in bands.x elchatz at auth.gr
[QE-users] 2D band surface plot elchatz at auth.gr
[QE-users] 2D band surface plot elchatz at auth.gr
[QE-users] High symmetry k-point's x coordinate dv009200 at fh-muenster.de
[QE-users] Optimization does not converge dv009200 at fh-muenster.de
[QE-users] Optimization does not converge dv009200 at fh-muenster.de
[QE-users] Si Band Calculation dv009200 at fh-muenster.de
[QE-users] forcing Sn(iv) or Sn(0) charges in a MASnI3 crystal dv009200 at fh-muenster.de
[QE-users] (no subject) as gj
[QE-users] Problem in using meta-GGA function in QE6.4.1 mshoaibce at gmail.com
[QE-users] users Digest, Vol 139, Issue 1 wangshaofeng at iae.ac.cn
[QE-users] scan with paw jiayu
[QE-users] Installation of QE in cluster based server remotely vipin kumar
[QE-users] iotk cannot read Li PPs ruben soria martinez
[QE-users] qwindow jean quantum
[QE-users] Ferromagnetic Superconductivity in QE nate szymanski
[QE-users] Error in routine davcio at beginning of phonon calculation nate szymanski
[QE-users] Error in routine davcio at beginning of phonon calculation nate szymanski
[QE-users] Calculating formation energy of the defect mehrdad zamzamian
[QE-users] The error when running MD simulation with ensemble_DFT 陆海林

Last message date: Tue Apr 30 22:19:07 CEST 2019
Archived on: Wed May 1 08:24:48 CEST 2019

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