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2026/04/16 [QE-users] Calculation of pressure KRISHNENDU MUKHERJEE
2026/04/15 [QE-users] elph.xml vs printed electron-phonon matrix element at Gamma (ph.x) Qi Sun via users
2026/04/13 Re: [QE-users] Renormalized band energies from the postahc.x code Vahid Askarpour
2026/04/13 Re: [QE-users] Renormalized band energies from the postahc.x code Lorenzo Paulatto
2026/04/11 [QE-users] Renormalized band energies from the postahc.x code Vahid Askarpour
2026/04/11 [QE-users] Printing electron-phonon matrix elements using ph.x Shubham Patel via users
2026/04/10 [QE-users] Call for Nominations: 2026 Walter Kohn Prize Antimo Marrazzo
2026/04/06 [QE-users] Doing full geometry relaxations in charge-doped systems Dominic Varghese via users
2026/04/06 [QE-users] Dipole coordinates in the *out and *xml files Menglin Zhu
2026/04/05 Re: [QE-users] [projwfc.x] 박기명
2026/04/04 Re: [QE-users] [projwfc.x] Giovanni Cantele via users
2026/04/04 [QE-users] [projwfc.x] 박기명
2026/03/30 [QE-users] Local and non-local part of pseudopotential KRISHNENDU MUKHERJEE
2026/03/30 [QE-users] EPW compilation error in QE 7.5 Jibiao Li
2026/03/30 Re: [QE-users] SCF calculation fails with SIGSEGV in Quantum ESPRESSO 7.5 Ishiyama , Takahisa_石山貴久
2026/03/30 Re: [QE-users] SCF calculation fails with SIGSEGV in Quantum ESPRESSO 7.5 Paolo Giannozzi
2026/03/29 [QE-users] SCF calculation fails with SIGSEGV in Quantum ESPRESSO 7.5 Ishiyama , Takahisa_石山貴久
2026/03/27 Re: [QE-users] Extra states in conduction band and PDOS/Total DOS mismatch in strained hBN unit cell Giovanni Cantele via users
2026/03/27 Re: [QE-users] Extra states in conduction band and PDOS/Total DOS mismatch in strained hBN unit cell Ms. Chandrika K. via users
2026/03/27 [QE-users] [Orbital Angular Momentum] 박기명
2026/03/26 Re: [QE-users] Extra states in conduction band and PDOS/Total DOS mismatch in strained hBN unit cell Giovanni Cantele
2026/03/25 Re: [QE-users] Including Spin-orbit coupling only in selected atoms Giovanni Cantele
2026/03/25 [QE-users] Including Spin-orbit coupling only in selected atoms Lorenzo Sponza
2026/03/25 [QE-users] join Quantum ESPRESSO developer team in Trieste Stefano de Gironcoli
2026/03/23 Re: [QE-users] [EXT] Re: Calculating spin-orbit matrix elements? Paolo Giannozzi
2026/03/23 [QE-users] Help to reproduce Topological Insulator properties of Bi2Se3 using QE A.K.Md.Farid ul Islam via users
2026/03/22 Re: [QE-users] [EXT] Re: Calculating spin-orbit matrix elements? Lukas Cvitkovich
2026/03/22 Re: [QE-users] [EXT] Calculating spin-orbit matrix elements? Stefano Baroni
2026/03/22 Re: [QE-users] [EXT] Calculating spin-orbit matrix elements? Lukas Cvitkovich
2026/03/22 [QE-users] (no subject) LL via users
2026/03/17 Re: [QE-users] symmetrization of charge density (pw) Roland Winkler
2026/03/16 [QE-users] Calculating spin-orbit matrix elements? Lorenzo Sponza
2026/03/16 [QE-users] Undergraduate CECAM Summer School on Molecular Dynamics for Materials Science, Nanotechnology, and Biophysics, June 22 - July 3, SISSA (Trieste, Italy) Antimo Marrazzo
2026/03/14 Re: [QE-users] symmetrization of charge density (pw) Roland Winkler
2026/03/14 Re: [QE-users] symmetrization of charge density (pw) Paolo Giannozzi
2026/03/14 Re: [QE-users] symmetrization of charge density (pw) Roland Winkler
2026/03/14 Re: [QE-users] symmetrization of charge density (pw) Roland Winkler
2026/03/14 Re: [QE-users] Issue for convergence in ibrav = 6 Narayanan Namboodiri P via users
2026/03/14 Re: [QE-users] Issue for convergence in ibrav = 6 Lorenzo Paulatto
2026/03/14 Re: [QE-users] symmetrization of charge density (pw) Stefano de Gironcoli
2026/03/14 Re: [QE-users] Issue for convergence in ibrav = 6 Paolo Giannozzi
2026/03/14 [QE-users] Issue for convergence in ibrav = 6 Narayanan Namboodiri P via users
2026/03/13 Re: [QE-users] symmetrization of charge density (pw) Roland Winkler
2026/03/13 Re: [QE-users] symmetrization of charge density (pw) Roland Winkler
2026/03/13 Re: [QE-users] symmetrization of charge density (pw) Pietro Davide Delugas
2026/03/12 [QE-users] symmetrization of charge density (pw) Roland Winkler
2026/03/09 Re: [QE-users] PBE0 Pseudopotentials for Se Davide Ceresoli
2026/03/08 [QE-users] Convergence Issue While running elastic constant using thermo_pw Narayanan Namboodiri P via users
2026/03/08 Re: [QE-users] help for pdos calculation for SOC Giovanni Cantele
2026/03/08 [QE-users] help for pdos calculation for SOC A.K.Md.Farid ul Islam via users
2026/03/07 [QE-users] PBE0 Pseudopotentials for Se Cameron Mills via users
2026/03/05 [QE-users] Löwdin charge analysis Ms. Chandrika K. via users
2026/02/28 Re: [QE-users] How to obatin orbital projected band structre Nicola Marzari via users
2026/02/27 [QE-users] How to obatin orbital projected band structre Narayanan Namboodiri P via users
2026/02/24 Re: [QE-users] orbital magnetic moment Johnson, Miles R.
2026/02/24 [QE-users] orbital magnetic moment Peng, Cheng
2026/02/22 [QE-users] QE 7.3.1 Raman Tensor Form Tang, Weilun via users
2026/02/21 [QE-users] How to use Quantum ESPRESSO for QM/MM simulation Yuvam Bhateja via users
2026/02/19 Re: [QE-users] PDOS Hybridization / Extra State Tang, Weilun via users
2026/02/18 Re: [QE-users] constrained DFT calculations with QE Alain Delgado Gran via users
2026/02/18 Re: [QE-users] constrained DFT calculations with QE Nicola Marzari via users
2026/02/17 [QE-users] constrained DFT calculations with QE Alain Delgado Gran via users
2026/02/17 Re: [QE-users] NEB calculation gives negative relative energies and does not converge Lorenzo Paulatto
2026/02/16 [QE-users] LOBSTER Alternative Tool for Norm-Conserving hgh Pseudopotential Tang, Weilun via users
2026/02/16 [QE-users] NEB calculation gives negative relative energies and does not converge imane BEZZAOUI
2026/02/16 Re: [QE-users] PDOS Hybridization / Extra State Paolo Giannozzi
2026/02/13 Re: [QE-users] PDOS Hybridization / Extra State Tang, Weilun via users
2026/02/13 Re: [QE-users] PDOS Hybridization / Extra State Giovanni Cantele
2026/02/13 [QE-users] fnosep selection in CP calculation in Quantum Espresso 522mm1001 (Sankhasubhra Mukhopadhyay) via users
2026/02/13 [QE-users] fnosep selection in CP calculation in Quantum Espresso 522mm1001 (Sankhasubhra Mukhopadhyay) via users
2026/02/13 Re: [QE-users] ICTP-MARVEL College on "Materials Simulations in the Age of AI" Giovanni Cantele
2026/02/13 Re: [QE-users] ICTP-MARVEL College on "Materials Simulations in the Age of AI" Giovanni Cantele
2026/02/13 [QE-users] ICTP-MARVEL College on "Materials Simulations in the Age of AI" Nicola Marzari via users
2026/02/12 [QE-users] PDOS Hybridization / Extra State Tang, Weilun via users
2026/02/09 Re: [QE-users] Error in my epsilon.x calculation for MASnBr3 Ebiyibo Collins Ouserigha
2026/02/09 [QE-users] ph.x diverges when restart Yujia Teng
2026/02/08 Re: [QE-users] Error in my epsilon.x calculation for MASnBr3 Lorenzo Paulatto
2026/02/08 Re: [QE-users] Error in my epsilon.x calculation for MASnBr3 Ebiyibo Collins Ouserigha
2026/02/08 Re: [QE-users] Error in my epsilon.x calculation for MASnBr3 Lorenzo Paulatto
2026/02/06 Re: [QE-users] Error in my epsilon.x calculation for MASnBr3 Ebiyibo Collins Ouserigha
2026/02/05 [QE-users] Regarding High Negative Pressure During vc-relax Calculation 522mm1001 (Sankhasubhra Mukhopadhyay) via users
2026/02/04 Re: [QE-users] Collapse of 316L stainless steel structure Lorenzo Paulatto
2026/02/04 Re: [QE-users] Collapse of 316L stainless steel structure Yuvam Bhateja via users
2026/02/02 Re: [QE-users] Collapse of 316L stainless steel structure giuseppe . mattioli
2026/02/02 [QE-users] Collapse of 316L stainless steel structure Yuvam Bhateja via users
2026/02/01 Re: [QE-users] Regarding vc-relax of Ti3C2O2 Paolo Giannozzi
2026/02/01 Re: [QE-users] Regarding vc-relax of Ti3C2O2 giuseppe . mattioli
2026/01/31 [QE-users] Regarding vc-relax of Ti3C2O2 SAI VARUN RAGI .
2026/01/29 [QE-users] Collapse of 316L stainless steel structure Yuvam Bhateja via users
2026/01/29 Re: [QE-users] Error in my epsilon.x calculation for MASnBr3 Lorenzo Paulatto
2026/01/29 [QE-users] Error in my epsilon.x calculation for MASnBr3 Ebiyibo Collins Ouserigha
2026/01/27 [QE-users] Supercell Ph.x Slow Parallel Calculation Tang, Weilun via users
2026/01/24 Re: [QE-users] Collapse of 316L stainless steel structure Tone Kokalj
2026/01/24 [QE-users] Collapse of 316L stainless steel structure Yuvam Bhateja via users
2026/01/23 Re: [QE-users] pw2bgw - Hubbard U not valid? Ian Shuttleworth
2026/01/23 Re: [QE-users] pw2bgw - Hubbard U not valid? Paolo Giannozzi
2026/01/22 [QE-users] pw2bgw - Hubbard U not valid? Ian Shuttleworth
2026/01/21 [QE-users] Print raw electron-phonon coupling matrix elements Farhat, Afifa
2026/01/17 Re: [QE-users] Norm-Conserving (NC) PPs for rare earth elements Lorenzo Paulatto
2026/01/17 [QE-users] Norm-Conserving (NC) PPs for rare earth elements jibiaoli
2026/01/13 Re: [QE-users] [Spin Texture] Giovanni Cantele
2026/01/12 [QE-users] [Spin Texture] 박기명
2026/01/10 Re: [QE-users] Relaxation of MoN/MoP2 heterostructure stops before force convergence despite SCF convergence Giovanni Cantele
2026/01/10 [QE-users] Relaxation of MoN/MoP2 heterostructure stops before force convergence despite SCF convergence BINOY CHANDRA DEY via users
2026/01/08 Re: [QE-users] Directory mismatch and too few bands problem in split irr calculation in ph.x Yujia Teng
2026/01/08 Re: [QE-users] the modeling of a hybrid semiconductor structure with ibrav=0 and nosym=.true. Giovanni Cantele
2026/01/07 [QE-users] the modeling of a hybrid semiconductor structure with ibrav=0 and nosym=.true. Мищенко В . Н .
2026/01/07 [QE-users] Directory mismatch and too few bands problem in split irr calculation in ph.x Yujia Teng
2026/01/03 [QE-users] Way forward for further calculations of bands, pdos Sagar Dahal
2026/01/02 Re: [QE-users] For constant potential simulation in pw.x Minoru Otani
2026/01/02 [QE-users] Request for solution in q4 of phonon Sagar Dahal
2026/01/02 [QE-users] Regarding Optical Properties calculations Shyam Sundar Sharma mm25d802
2026/01/02 Re: [QE-users] Ph.x Raman Tensor Question Tang, Weilun via users
2026/01/02 Re: [QE-users] Ph.x Raman Tensor Question Paolo Giannozzi
2026/01/01 [QE-users] Ph.x Raman Tensor Question Tang, Weilun via users
2025/12/28 Re: [QE-users] For constant potential simulation in pw.x Paolo Giannozzi
2025/12/28 Re: [QE-users] [matrix diagonalization] Paolo Giannozzi
2025/12/28 Re: [QE-users] scf and nscf inputs after vc-relax Ebiyibo Collins Ouserigha
2025/12/28 Re: [QE-users] scf and nscf inputs after vc-relax Lorenzo Paulatto
2025/12/28 [QE-users] scf and nscf inputs after vc-relax Ebiyibo Collins Ouserigha
2025/12/27 [QE-users] [matrix diagonalization] 박기명
2025/12/24 [QE-users] For constant potential simulation in pw.x ww
2025/12/23 Re: [QE-users] Dielectric constant of Bi2Te3 from ph.x seems too large Vahid Askarpour
2025/12/23 Re: [QE-users] Dielectric constant of Bi2Te3 from ph.x seems too large Paolo Giannozzi
2025/12/23 [QE-users] Dielectric constant of Bi2Te3 from ph.x seems too large Vahid Askarpour
2025/12/22 [QE-users] highest peaks in DOS dlduran
2025/12/22 Re: [QE-users] error in postprocessing with dos.x and projwfc.x QE 7.4.1 Shyam Sundar Sharma mm25d802
2025/12/22 Re: [QE-users] error in postprocessing with dos.x and projwfc.x QE 7.4.1 giuseppe . mattioli
2025/12/22 Re: [QE-users] error in postprocessing with dos.x and projwfc.x QE 7.4.1 Paolo Giannozzi
2025/12/22 Re: [QE-users] error in postprocessing with dos.x and projwfc.x QE 7.4.1 Paolo Giannozzi
2025/12/22 [QE-users] error in postprocessing with dos.x and projwfc.x QE 7.4.1 giuseppe . mattioli
2025/12/19 Re: [QE-users] [wfc*.dat files after scf calculations] Paolo Giannozzi
2025/12/18 [QE-users] Regarding Optical properties calculations Shyam Sundar Sharma mm25d802
2025/12/18 [QE-users] [wfc*.dat files after scf calculations] 박기명
2025/12/17 Re: [QE-users] Problems with Relax and EPC Calculations in QE Claudio Antonio Perottoni
2025/12/16 [QE-users] Problems with Relax and EPC Calculations in QE 谢征奥
2025/12/11 Re: [QE-users] apply_U in Hubbard U implementation Paolo Giannozzi
2025/12/10 [QE-users] apply_U in Hubbard U implementation Aditya Putatunda
2025/12/09 Re: [QE-users] pp.x segfaults for occupations='fixed' and nspin=2 calculation Konrad Gruszka via users
2025/12/09 Re: [QE-users] pp.x segfaults for occupations='fixed' and nspin=2 calculation Paolo Giannozzi
2025/12/09 Re: [QE-users] Meta-GGA consistent pseudopotentials Pietro Davide Delugas
2025/12/09 [QE-users] pp.x segfaults for occuapations='fixed' and nspin=2 calculation Konrad Gruszka via users
2025/12/08 Re: [QE-users] Broken link for pp.x documentation on QE website Pietro Davide Delugas
2025/12/08 [QE-users] Broken link for pp.x documentation on QE website Prem Prakash Sahu
2025/12/08 [QE-users] Meta-GGA consistent pseudopotentials Slot, M. (Mark, Student M-AP)
2025/12/04 [QE-users] 回复: SCF calculation with SOC fails to converge Wang, Aolei via users
2025/12/04 Re: [QE-users] SCF calculation with SOC fails to converge Paolo Giannozzi
2025/12/04 [QE-users] 回复: SCF calculation with SOC fails to converge Wang, Aolei via users
2025/12/03 [QE-users] 回复: SCF calculation with SOC fails to converge Wang, Aolei via users
2025/12/03 [QE-users] 回复: [EXT] SCF calculation with SOC fails to converge Wang, Aolei via users
2025/12/03 [QE-users] 回复: SCF calculation with SOC fails to converge Wang, Aolei via users
2025/12/03 Re: [QE-users] SCF calculation with SOC fails to converge 猛猛
2025/12/02 [QE-users] Large Difference in HOMO/LUMO Levels Between SCF and NSCF for Slab Calculation Ms. Chandrika K. via users
2025/11/28 [QE-users] Constrained_magnetization ='atomic' and starting_magnetization conflict in QE 7.2 Alpin Novianus Tatan
2025/11/26 [QE-users] Files produced by pw.x in MD run Mateusz via users
2025/11/25 Re: [QE-users] [QE-GPU] [PHonon] Runtime Crash in ph.x (v7.5 OpenACC) during Electron-Phonon Calculation (elphon.f90) Paolo Giannozzi
2025/11/25 Re: [QE-users] nscf Calculation crash Paolo Giannozzi
2025/11/25 Re: [QE-users] Quantum Espresso Paolo Giannozzi
2025/11/25 [QE-users] [QE-GPU] [PHonon] Runtime Crash in ph.x (v7.5 OpenACC) during Electron-Phonon Calculation (elphon.f90) Dolon Pal via users
2025/11/22 [QE-users] Quantum Espresso Muhammad Ishfaq via users
2025/11/22 Re: [QE-users] SOC SCF not converging 박기명
2025/11/21 [QE-users] SOC SCF not converging Barsha Pal
2025/11/20 [QE-users] Magnetic force theorem analysis in Quantum ESPRESSO Yashika Gautam via users
2025/11/17 [QE-users] Fwd: problems computing cholesky decomposition error while running bands calculation using QE 7.1 - reg Nithish Sriram MKU-SCHOLAR
2025/11/17 Re: [QE-users] how to read the plane wave coefficient of wavefunction? Erik Schultheis via users
2025/11/14 [QE-users] how to read the plane wave coefficient of wavefunction? 半城烟沙 via users
2025/11/14 [QE-users] SCF potential in Born effective Charge Shubham Patel via users
2025/11/12 Re: [QE-users] Question on the handling of the analytical Lorenzo Paulatto
2025/11/12 [QE-users] DOS and band structure calculation for a ferromagnetic insulator sdipak
2025/11/12 [QE-users] Problem launching NEB calculation on the server imane BEZZAOUI
2025/11/11 [QE-users] Question on the handling of the analytical Erik Hansen via users
2025/11/10 Re: [QE-users] Can epsilon.x compute off-diagonal dielectric tensor elements? Lorenzo Paulatto
2025/11/10 [QE-users] Can epsilon.x compute off-diagonal dielectric tensor elements? Md Jahid Hasan Sagor
2025/11/09 Re: [QE-users] Raman spectra for metallic system in QE Lorenzo Paulatto
2025/11/09 Re: [QE-users] qe v7.5 self test metaGGA-spin.in failed. Cause for concern? Michael Dayan via users
2025/11/09 Re: [QE-users] Raman spectra for metallic system in QE Shubham Patel via users
2025/11/08 Re: [QE-users] qe v7.5 self test metaGGA-spin.in failed. Cause for concern? Pietro Davide Delugas
2025/11/08 [QE-users] qe v7.5 self test metaGGA-spin.in failed. Cause for concern? Michael Dayan via users
2025/11/08 Re: [QE-users] Raman spectra for metallic system in QE Lorenzo Paulatto
2025/11/08 Re: [QE-users] Raman spectra for metallic system in QE Paolo Giannozzi
2025/11/08 Re: [QE-users] functional name unknown Paolo Giannozzi
2025/11/08 Re: [QE-users] functional name unknown Giovanni Cantele
2025/11/07 Re: [QE-users] functional name unknown Vahid Askarpour
2025/11/07 [QE-users] functional name unknown Vahid Askarpour
2025/11/07 [QE-users] Orbital-Resolved Magnetic Anisotropy Analysis in Quantum ESPRESSO Yashika Gautam via users
2025/11/07 [QE-users] Orbital-Resolved Magnetic Anisotropy Analysis in Quantum ESPRESSO Yashika Gautam via users
2025/11/06 Re: [QE-users] Phonon–EPW Discrepancy in MoS2 Calculations near Gamma Point Vahid Askarpour
2025/11/05 [QE-users] Raman spectra for metallic system in QE Shubham Patel via users
2025/11/04 Re: [QE-users] All-electron wave function from pw.x calculation with PAW pseudopotentials Lorenzo Paulatto
2025/11/04 Re: [QE-users] All-electron wave function from pw.x calculation with PAW pseudopotentials Toriyama, Michael Y. via users
2025/11/04 Re: [QE-users] All-electron wave function from pw.x calculation with PAW pseudopotentials giuseppe . mattioli
2025/11/03 [QE-users] All-electron wave function from pw.x calculation with PAW pseudopotentials Toriyama, Michael Y. via users
2025/11/03 [QE-users] R: Adhesion Work michele de angelis
2025/11/03 Re: [QE-users] Acoustic Sum Rule Frequency Question Shubham Patel via users
2025/11/01 Re: [QE-users] Acoustic Sum Rule Frequency Question Tang, Weilun [M S E] via users
2025/11/01 Re: [QE-users] Acoustic Sum Rule Frequency Question Paolo Giannozzi
2025/11/01 Re: [QE-users] Acoustic Sum Rule Frequency Question Tang, Weilun [M S E] via users
2025/11/01 Re: [QE-users] Acoustic Sum Rule Frequency Question Shubham Patel via users
2025/10/31 [QE-users] Acoustic Sum Rule Frequency Question Tang, Weilun [M S E] via users
2025/10/31 Re: [QE-users] Electron-Phonon calculation with Hubbard-U in QE Timrov, Iurii

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