April 2022 Archives by subject

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Starting: Sat Apr 2 08:55:44 CEST 2022
Ending: Sat Apr 30 22:07:30 CEST 2022
Messages: 106

[QE-users] [QE-Users]Bader charge analysis using USPP Giovanni La Penna
[QE-users] [SUSPECT ATTACHMENT REMOVED] Problems of installing QE 7.0 scy
[QE-users] About Fe2O3 sysdem FORCE converge 杨庆
[QE-users] about the boundary in cp.x 杨庆
[QE-users] about the boundary in cp.x Hsin-Yu Ko
[QE-users] Advice for Parallel Execution Robert Fleming
[QE-users] BEA+Tin: memory limit Victor Volkov
[QE-users] Bug of cp.x in QE 7.0 回复: segmentation fault occurred when reading restart with cp.x of QE7.0 likejiang at ustb.edu.cn
[QE-users] Building QE 7.0 with LibXC? Grigory Shamov
[QE-users] Building QE 7.0 with LibXC? Grigory Shamov
[QE-users] Calaculation of Chern Number (Z2 invariant) from bands.x calculation ? saramoh at tezu.ernet.in
[QE-users] can someone figure out why I get this error please? Lucian D. Filip
[QE-users] Cell_dofree='ibrav' Paolo Giannozzi
[QE-users] Constrained DFT Calculations Valentin VASSILEV GALINDO
[QE-users] Constrained DFT Calculations Valentin VASSILEV GALINDO
[QE-users] D3Q code application with vacancies kenneth senados
[QE-users] Difference between pw.x and cp.x for relax, ve-relax calculation likejiang at ustb.edu.cn
[QE-users] Difference between pw.x and cp.x for relax, ve-relax calculation Giuseppe Mattioli
[QE-users] Differences between projwfc.dat and atomic_proj.xml Léo Gaspard
[QE-users] Differences between projwfc.dat and atomic_proj.xml Paolo Giannozzi
[QE-users] Differences between projwfc.dat and atomic_proj.xml Léo Gaspard
[QE-users] Differences between projwfc.dat and atomic_proj.xml Paolo Giannozzi
[QE-users] Differences between projwfc.dat and atomic_proj.xml Léo Gaspard
[QE-users] Direction of electric field and sawtooth-potential Fabio Ferreira
[QE-users] Eigenvectors ALEJANDRO ARIEL HEREDIA GUEVARA
[QE-users] electronic structure of (001) Nb Roozbeh Anvari
[QE-users] epsilon.x errors Paolo Giannozzi
[QE-users] epsilon calculation Mohamed Saadi
[QE-users] epsilon calculation Mohamed Saadi
[QE-users] Error - unknown cell_dofree ibrav remya ud
[QE-users] Error - unknown cell_dofree ibrav remya ud
[QE-users] Error - unknown cell_dofree ibrav Vahid Askarpour
[QE-users] Error using wannier90.x Elio Physics
[QE-users] ESM and FCP calculation clarification Lucian D. Filip
[QE-users] ESM and FCP calculation clarification Lucian D. Filip
[QE-users] Failure in installing QE 6.7 in a server Jeffrey Tanudji
[QE-users] Failure in installing QE 6.7 in a server Pietro Davide Delugas
[QE-users] Failure in installing QE 6.7 in a server Jeffrey Tanudji
[QE-users] Fwd: Problem with Band Structure Post-processing calculation Jasleen Kaur
[QE-users] Heisenberg exchange milouda bessimou
[QE-users] Heisenberg exchange BARRETEAU Cyrille
[QE-users] How can I calculate optical properties and get the correct PPs? José Xavier
[QE-users] How to choose the pseudopotentials for CPMD simulation of the reduction of iron oxides (Fe2O3, Fe3O4 and FeO) by H2 likejiang at ustb.edu.cn
[QE-users] how to set up the initial guess for antiferromagnetic system Geng Sun
[QE-users] Is it acceptable to neglect spin, magnetism and U for CPMD simulation of iron oxides (Fe2O3, Fe3O4 and FeO) likejiang at ustb.edu.cn
[QE-users] Is it acceptable to neglect spin, magnetism and U for CPMD simulation of iron oxides (Fe2O3, Fe3O4 and FeO) Giuseppe Mattioli
[QE-users] Is it acceptable to neglect spin, magnetism and U for CPMD simulation of iron oxides (Fe2O3, Fe3O4 and FeO) Nicola Marzari
[QE-users] Is it necessary to do "vc-relax" with pw.x before doing CPMD with cp.x ? likejiang at ustb.edu.cn
[QE-users] Is it necessary to do "vc-relax" with pw.x before doing CPMD with cp.x ? Hsin-Yu Ko
[QE-users] lattice parameters using ev.x Pooja Vyas
[QE-users] lattice parameters using ev.x Lorenzo Paulatto
[QE-users] Laue class not available Aritri Roy
[QE-users] Mismatch of band structures calculated using PPs with and without atomic wavefunctions Rajender Tiwari
[QE-users] Negative phonon frequency at qpoints away from Gamma Jie Peng
[QE-users] Negative phonon frequency at qpoints away from Gamma mkondrin at hppi.troitsk.ru
[QE-users] Phonon calculations of point defect in 2D hBN Ken Sharman
[QE-users] Problem with Band Structure Post-processing calculation Jasleen Kaur
[QE-users] Problem with Band Structure Post-processing calculation Paolo Giannozzi
[QE-users] Problem with Band Structure Post-processing calculation Jasleen Kaur
[QE-users] Problem with the statement written in the output file of bands.x Nita Bisht
[QE-users] projwfc -> MOs ? Steven Kirk
[QE-users] projwfc -> MOs ? Paolo Giannozzi
[QE-users] QE GPU installation problems Steve Prior
[QE-users] question related to relaxation sabrine ayari
[QE-users] R: Advice for Parallel Execution Pietro Davide Delugas
[QE-users] Reg - Absorption spectrum study Vivek Christhunathan
[QE-users] Reg - Absorption spectrum study Iurii TIMROV
[QE-users] Reg - Absorption spectrum study Vivek Christhunathan
[QE-users] Reg - Absorption spectrum study Stefano Baroni
[QE-users] Reg - Absorption spectrum study Vivek Christhunathan
[QE-users] Reg - Absorption spectrum study Stefano Baroni
[QE-users] Regarding band gap error Satyasiban Dash ph19d005
[QE-users] Regarding band gap error Giuseppe Mattioli
[QE-users] Regarding bands Satyasiban Dash ph19d005
[QE-users] Regarding bands Giovanni Cantele
[QE-users] Regarding bands Satyasiban Dash ph19d005
[QE-users] Regarding bands Giuseppe Mattioli
[QE-users] Regarding bands Stefano Baroni
[QE-users] Regarding bands Giovanni Cantele
[QE-users] Regarding bands Satyasiban Dash ph19d005
[QE-users] Regarding Piezoelectricity work flow Srihari Venugopala Rao
[QE-users] Reliable critical point finding in the density without CRITIC2? Steven Kirk
[QE-users] restarting the calculation Aleksandra Oranskaia
[QE-users] Restart of pw.x molecular dynamics simulation and velocity read: QEv6.3 Steven Best
[QE-users] segmentation fault occurred when reading restart with cp.x of QE7.0 likejiang at ustb.edu.cn
[QE-users] some question about cpmd 杨庆
[QE-users] Symmetry dependent convergence Franklin T Cerasoli
[QE-users] Symmetry dependent convergence Bidault, Xavier
[QE-users] Symmetry dependent convergence Paolo Giannozzi
[QE-users] tutorial for the FCP method Lucian D. Filip
[QE-users] tutorial for the FCP method Otani Minoru
[QE-users] tutorial for the FCP method Lucian D. Filip
[QE-users] unknown cell_dofree ibrav in vc_relax calculation remya ud
[QE-users] users Digest, Vol 177, Issue 17 Vivek Christhunathan
[QE-users] users Digest, Vol 177, Issue 18 Mohamed Saadi
[QE-users] users Digest, Vol 177, Issue 18 Mohamed Saadi
[QE-users] users Digest, Vol 177, Issue 22 Mohamed Saadi
[QE-users] Writing .wfc error using pw.x max at diez-net.de
[QE-users] 回复: Difference between pw.x and cp.x for relax, ve-relax calculation likejiang at ustb.edu.cn
[QE-users] 回复: Is it acceptable to neglect spin, magnetism and U for CPMD simulation of iron oxides (Fe2O3, Fe3O4 and FeO) likejiang at ustb.edu.cn
[QE-users] 回复: Is it acceptable to neglect spin, magnetism and U for CPMD simulation of iron oxides (Fe2O3, Fe3O4 and FeO) likejiang at ustb.edu.cn
[QE-users] 回复: Is it necessary to do "vc-relax" with pw.x before doing CPMD with cp.x ? likejiang at ustb.edu.cn
[QE-users] 回复: Is it necessary to do "vc-relax" with pw.x before doing CPMD with cp.x ? Hsin-Yu Ko
[QE-users] 回复: 回复: Is it necessary to do "vc-relax" with pw.x before doing CPMD with cp.x ? likejiang at ustb.edu.cn
[QE-users] 回复: 回复: Is it necessary to do "vc-relax" with pw.x before doing CPMD with cp.x ? Hsin-Yu Ko
[QE-users] 回复: 回复: 回复: Is it necessary to do "vc-relax" with pw.x before doing CPMD with cp.x ? likejiang at ustb.edu.cn

Last message date: Sat Apr 30 22:07:30 CEST 2022
Archived on: Sat Apr 30 22:07:51 CEST 2022

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