May 2021 Archives by author

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Starting: Sat May 1 09:36:36 CEST 2021
Ending: Mon May 31 17:58:09 CEST 2021
Messages: 109

[QE-users] My slab system does not converge during optimization.Can you help me? Jayfe Anthony Abrea
[QE-users] scf calculation end without a crash file Zeeshan Ahmad
[QE-users] GIPAW PP generation via ld1.x Marcelo Albuquerque
[QE-users] under pressure PbTaSe2 vc-relax calculation Amadeus
[QE-users] under pressure PbTaSe2 vc-relax calculation Amadeus
[QE-users] Unable to read namelist INPUT in midpoint calculation of WanT package Savy B
[QE-users] The 2020/21 Benjamin Franklin Medal in Chemistry awarder to Roberto Car and Michele Parrinello awarded Stefano Baroni
[QE-users] error in turbo_eels.x Oscar Baseggio
[QE-users] pw2wannier90 issue Mayuri Bora
[QE-users] Berry phase calculation Mayuri Bora
[QE-users] My slab system does not converge during optimization.Can you help me? Thomas Brumme
[QE-users] Problem with SOC + DFT-U for f-electron system Sergei Butorin
[QE-users] questions related to QE-GIPAW Sergei Butorin
[QE-users] GIPAW PP generation via ld1.x Davide Ceresoli
[QE-users] questions related to QE-GIPAW Davide Ceresoli
[QE-users] Web pages broken Takahiro Chiba
[QE-users] HSE band structure QE6.3 LEUNG Clarence
[QE-users] HSE band structure QE6.3 LEUNG Clarence
[QE-users] Regarding exchange interaction parameter Matteo Cococcioni
[QE-users] IO usage in electron-phonon calculations Kien Nguyen Cong
[QE-users] users Digest, Vol 166, Issue 1 Anish Das
[QE-users] Web pages broken Pietro Delugas
[QE-users] electron affinity distribution map Evgenii
[QE-users] QE GPU + metaGGA Fabrizio Ferrari
[QE-users] neb bug? Paolo Giannozzi
[QE-users] relaxation of a charged system Paolo Giannozzi
[QE-users] DFT+U ERROR: Segmentation fault - invalid memory reference Paolo Giannozzi
[QE-users] Problem with SOC + DFT-U for f-electron system Paolo Giannozzi
[QE-users] Regarding the configuration of quantum expresso 6.7 Paolo Giannozzi
[QE-users] Neverending geometry optimization Paolo Giannozzi
[QE-users] Error in routine phq_readin Paolo Giannozzi
[QE-users] IO usage in electron-phonon calculations Paolo Giannozzi
[QE-users] U correction, transferability Stefano de Gironcoli
[QE-users] under pressure PbTaSe2 vc-relax calculation Stefano de Gironcoli
[QE-users] Stability issue in vc-relax for two different pseudo-potentials Manoar Hossain
[QE-users] Query about high symmetry path. Manoar Hossain
[QE-users] Query about high symmetry path. Poonam Kaushik
[QE-users] Query about high symmetry path. Poonam Kaushik
[QE-users] Query about high symmetry path. Poonam Kaushik
[QE-users] Inconsistency | It seems that omega_ln is in the unit of meV rather than K Mitsuaki Kawamura
[QE-users] scf calculation end without a crash file Z. Khatibi
[QE-users] scf calculation end without a crash file Z. Khatibi
[QE-users] restart tag not available in hp.x (qe-6.6) Rajeev Kumar
[QE-users] Phonon calculation: no convergence achieved Levin Rojas, Natalia
[QE-users] Inconsistency | It seems that omega_ln is in the unit of meV rather than K Jibiao Li
[QE-users] Inconsistency | It seems that omega_ln is in the unit of meV rather than K Jibiao Li
[QE-users] Inconsistency | It seems that omega_ln is in the unit of meV rather than K Jibiao Li
[QE-users] U correction, transferability Sergey Lisenkov
[QE-users] DFT+U ERROR: Segmentation fault - invalid memory reference Lu
[QE-users] Spin-Orbit Coupling constant J ABDELHAMID AIT M\'HID
[QE-users] postdoctoral (or PhD) positions on spectroscopies with Quantum ESPRESSO and ENVIRON Nicola Marzari
[QE-users] Query about density of states calculations for crystalline and amorphous supercells Nicola Marzari
[QE-users] under pressure PbTaSe2 vc-relax calculation Nicola Marzari
[QE-users] review on electronic-structure methods and computational materials design Nicola Marzari
[QE-users] Neverending geometry optimization Matic
[QE-users] HSE band structure QE6.3 Giuseppe Mattioli
[QE-users] Regarding the calculation on spin and orbital moment Giuseppe Mattioli
[QE-users] Regarding the calculation on spin and orbital moment Giuseppe Mattioli
[QE-users] My input dont converge Giuseppe Mattioli
[QE-users] My input dont converge Giuseppe Mattioli
[QE-users] QE GPU + metaGGA Lorenzo Monacelli
[QE-users] neb bug? Aleksandra Oranskaia
[QE-users] convergence NOT achieved after 100 iterations for spin-orbit coupling SOUMYAKANTA PANDA
[QE-users] Regarding the calculation on spin and orbital moment SOUMYAKANTA PANDA
[QE-users] Regarding the calculation on spin and orbital moment SOUMYAKANTA PANDA
[QE-users] Regarding the calculation on spin and orbital moment SOUMYAKANTA PANDA
[QE-users] Regarding exchange interaction parameter SOUMYAKANTA PANDA
[QE-users] Regarding exchange interaction parameter SOUMYAKANTA PANDA
[QE-users] My input dont converge SOUMYAKANTA PANDA
[QE-users] alpha2f.x electron-phonon calculation error RICO PRATAMA PUTRA
[QE-users] International Workshop on Computer-Aided Materials Discovery Minkyu Park
[QE-users] [EVENT] International Workshop on Computer-Aided Materials Discovery Minkyu Park
[QE-users] [External Email] Query about high symmetry path. Hari Paudyal
[QE-users] [External Email] Re: Query about high symmetry path. Hari Paudyal
[QE-users] neb bug? Lorenzo Paulatto
[QE-users] Error in routine phq_readin Lorenzo Paulatto
[QE-users] QE GPU + metaGGA Lorenzo Paulatto
[QE-users] Error in routine phq_readin Lorenzo Paulatto
[QE-users] Query about high symmetry path. Lorenzo Paulatto
[QE-users] Final energy/atom calculation using SCF calculation Lorenzo Paulatto
[QE-users] error in turbo_eels.x Elio Physics
[QE-users] error in turbo_eels.x Elio Physics
[QE-users] integrated electron phonon coupling and superconducting gap Elio Physics
[QE-users] Role of ecutwfc and ecutrho in optimization - Reg singaravelan T R
[QE-users] My input dont converge Carlos Rocha
[QE-users] optical properties with HSE06 OUKAHOU SAID
[QE-users] Error in routine phq_readin Mauro Sgroi
[QE-users] Error in routine phq_readin Mauro Sgroi
[QE-users] Neverending geometry optimization Mauro Sgroi
[QE-users] Neverending geometry optimization Mauro Sgroi
[QE-users] Error in routine phq_readin Mauro Sgroi
[QE-users] Error in routine phq_readin Mauro Sgroi
[QE-users] Enormous stress from a previously flawless input Andrii Shyichuk
[QE-users] U correction, transferability Iurii TIMROV
[QE-users] restart tag not available in hp.x (qe-6.6) Iurii TIMROV
[QE-users] Shift current calculation of Bulk photovoltaic effect Devender Takhar
[QE-users] Get the total potential (V_bare + V_H + V_xc) in the reciprocal space João Victor Vilela
[QE-users] Query about density of states calculations for crystalline and amorphous supercells alex davila
[QE-users] Fwd: masoudeh maleki
[QE-users] under pressure PbTaSe2 vc-relax calculation mkondrin
[QE-users] GIPAW PP generation via ld1.x human yaghoob nejad
[QE-users] convergence problem alberto santonocito
[QE-users] pwcond.x error in calculating the transmittance yifeng zhao
[QE-users] local electron attachment energy or electron affinity Максим Арсентьев
[QE-users] under pressure PbTaSe2 vc-relax calculation 连云龙
[QE-users] What makes difference between PDOS and Total DOS 飘
[QE-users] Big difference between PDOS and Total DOS 飘
[QE-users] Total energy of Li BCC Lattice טנמוי פּאול
[QE-users] Final energy/atom calculation using SCF calculation טנמוי פּאול

Last message date: Mon May 31 17:58:09 CEST 2021
Archived on: Mon May 31 17:58:05 CEST 2021

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