January 2022 Archives by date

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Starting: Sat Jan 1 07:46:45 CET 2022
Ending: Mon Jan 31 21:01:11 CET 2022
Messages: 118

[QE-users] Happy New Year 2022 saramoh at tezu.ernet.in
[QE-users] Help Faezeh Taravat
[QE-users] About confirmation of ground state energy of isolated atom poonamsharma
[QE-users] About confirmation of ground state energy of isolated atom Giuseppe Mattioli
[QE-users] About confirmation of ground state energy of isolated atom Husak Michal
[QE-users] About confirmation of ground state energy of isolated atom Husak Michal
[QE-users] About confirmation of ground state energy of isolated atom Mahmoud Payami Shabestari
[QE-users] controtting T in cp.x Mahmoud Payami Shabestari
[QE-users] controtting T in cp.x Mahmoud Payami Shabestari
[QE-users] Phonon with SOC calculation in ver6.3 and older version Badrul Abidin
[QE-users] cp.x_6.4.1 vs cp.x_7.0 Mahmoud Payami Shabestari
[QE-users] Band structure calculation including spin polarization DHILSHADA V.N.
[QE-users] Application of electric field Satyasiban Dash ph19d005
[QE-users] open_grid.x error Lorenzo Paulatto
[QE-users] Problem with NSCF and PDOS calculations (with vacuum) deepti rajpoot
[QE-users] Assunto: Re: Assunto: Re: Difference in Fermi energy by increasing k-points José Xavier
[QE-users] Assunto: Re: Assunto: Re: Difference in Fermi energy by increasing k-points Paolo Giannozzi
[QE-users] Problem with NSCF and PDOS calculations (with vacuum) Paolo Giannozzi
[QE-users] Assunto: Re: Assunto: Re: Difference in Fermi energy by increasing k-points Kazume NISHIDATE
[QE-users] Assunto: Re: Assunto: Re: Difference in Fermi energy by increasing k-points Kazume NISHIDATE
[QE-users] Problem with NSCF and PDOS calculations (with vacuum) Deepti Rajpoot
[QE-users] Problem with NSCF and PDOS calculations (with vacuum) deepti rajpoot
[QE-users] Problem with NSCF and PDOS calculations (with vacuum) deepti rajpoot
[QE-users] Problem with NSCF and PDOS calculations (with vacuum) Paolo Giannozzi
[QE-users] Error in routine hp_readin (1): Calculation of Hubbard parameters with the background is not implemented Anish Das
[QE-users] Assunto: Re: Assunto: Re: Difference in Fermi energy by increasing k-points José Xavier
[QE-users] Assunto: Re: Assunto: Re: Difference in Fermi energy by increasing k-points Thomas Brumme
[QE-users] Problem with NSCF and PDOS calculations (with vacuum) Charlie Montross
[QE-users] cp.x_6.4.1 vs cp.x_7.0 Paolo Giannozzi
[QE-users] Error in routine hp_readin (1): Calculation of Hubbard parameters with the background is not implemented Iurii TIMROV
[QE-users] Problem with NSCF and PDOS calculations (with vacuum) patrizio.graziosi at cnr.it
[QE-users] cp.x_6.4.1 vs cp.x_7.0 Mahmoud Payami Shabestari
[QE-users] Phonon with SOC calculation in ver6.3 and older version Paolo Giannozzi
[QE-users] Questions on cp.x and pw.x Mahmoud Payami Shabestari
[QE-users] [SPAM] d3q download for QE7.0 黄建啟
[QE-users] Questions on cp.x and pw.x Mahmoud Payami Shabestari
[QE-users] Help Lorenzo Paulatto
[QE-users] Help Hongyi Zhao
[QE-users] etot_conv_thr HUSSAM BOUAAMLAT
[QE-users] Reconstruction problem in hp.x Vahid Askarpour
[QE-users] [Webinar announce] Philip Kim, “Stacking van der Waals atomic layers: quest for new quantum materials” Minkyu Park
[QE-users] Reconstruction problem in hp.x Iurii TIMROV
[QE-users] BURAI cannot mpirun pw.x Luc Fruchter
[QE-users] Reconstruction problem in hp.x Vahid Askarpour
[QE-users] Doubling of electrostatic potential Ruslan Kevorkyants
[QE-users] Reconstruction problem in hp.x Iurii TIMROV
[QE-users] Reconstruction problem in hp.x Vahid Askarpour
[QE-users] BURAI cannot mpirun pw.x Luc Fruchter
[QE-users] error on running turbo_lanczos.x with MPI 飘
[QE-users] error on running turbo_lanczos.x with MPI Iurii TIMROV
[QE-users] summary of md in pw.x Giuseppe Mattioli
[QE-users] Compiling without internet Lorenzo Monacelli
[QE-users] Compiling without internet Paolo Giannozzi
[QE-users] Compiling without internet Lorenzo Monacelli
[QE-users] Reconstruct the symmetry reduced mesh of phonon dispersion and get the eigenvectors Simula, Kristoffer
[QE-users] Reconstruction problem in hp.x Vahid Askarpour
[QE-users] Regarding Phonon calculation Satyasiban Dash ph19d005
[QE-users] Re： error on running turbo_lanczos.x with MPI 飘
[QE-users] new qe superfeatures Aleksandra Oranskaia
[QE-users] Reconstruction problem in hp.x Iurii TIMROV
[QE-users] new qe superfeatures Iurii TIMROV
[QE-users] Re： error on running turbo_lanczos.x with MPI Iurii TIMROV
[QE-users] Re： Re： error on running turbo_lanczos.x with MPI 飘
[QE-users] new qe superfeatures Aleksandra Oranskaia
[QE-users] new qe superfeatures Aleksandra Oranskaia
[QE-users] new qe superfeatures Aleksandra Oranskaia
[QE-users] new qe superfeatures Lorenzo Paulatto
[QE-users] new qe superfeatures Aleksandra Oranskaia
[QE-users] TS Dispersion Carlo Nervi
[QE-users] TS Dispersion Paolo Giannozzi
[QE-users] TS Dispersion Johannes Meusburger - STFC UKRI
[QE-users] TS Dispersion Carlo Nervi
[QE-users] Script to produce explicit q points along BZ paths for input in matdyn.x Marcelo Falcão de Oliveira
[QE-users] Script to produce explicit q points along BZ paths for input in matdyn.x Hongyi Zhao
[QE-users] Script to produce explicit q points along BZ paths for input in matdyn.x Hongyi Zhao
[QE-users] Script to produce explicit q points along BZ paths for input in matdyn.x Marcelo Falcão de Oliveira
[QE-users] Script to produce explicit q points along BZ paths for input in matdyn.x patrizio.graziosi at cnr.it
[QE-users] Script to produce explicit q points along BZ paths for input in matdyn.x Hongyi Zhao
[QE-users] Script to produce explicit q points along BZ paths for input in matdyn.x Marcelo Falcão de Oliveira
[QE-users] Script to produce explicit q points along BZ paths for input in matdyn.x Hongyi Zhao
[QE-users] Quantum espresso 7.0 Windows binary .... Michal Husak
[QE-users] Choice of awin for average.x calculations Anson Thomas
[QE-users] Choice of awin for average.x calculations Lorenzo Paulatto
[QE-users] new qe superfeatures Aleksandra Oranskaia
[QE-users] new qe superfeatures Lorenzo Paulatto
[QE-users] (no subject) shubham kumar
[QE-users] [SPAM] Question regarding frequency shubham kumar
[QE-users] Fixing atomic positions while vc-relax with cell_dofree Antoine Jay
[QE-users] possible bug in bands calculation Aleksandra Oranskaia
[QE-users] possible bug in bands calculation Vahid Askarpour
[QE-users] PSlibrary not available E.Lora
[QE-users] possible bug in bands calculation Aleksandra Oranskaia
[QE-users] Input files for band structure calculation of g C4N3 DHILSHADA V.N.
[QE-users] new qe superfeatures Aleksandra Oranskaia
[QE-users] Correct QE build for Windows using OpenMP Husak Michal
[QE-users] new qe superfeatures Lorenzo Paulatto
[QE-users] Regarding pseudopotentials... abhijith vg
[QE-users] Regarding pseudopotentials... Yifan Zhou
[QE-users] Regarding pseudopotentials... Pietro Davide Delugas
[QE-users] how to choose properly the parameters value of nq1, nq2 nq3 in the ph.x inputfile. Gang Yang
[QE-users] how to choose properly the parameters value of nq1, nq2 nq3 in the ph.x inputfile. Marcelo Falcão de Oliveira
[QE-users] Bad performance of OpenMP builds linked to fftw3_omp Husak Michal
[QE-users] Error in routine good_fft_order (1): invalid np Husak Michal
[QE-users] Fatal Error: device_auxfunc_interf.f90: No such file or directory Husak Michal
[QE-users] Fatal Error: device_auxfunc_interf.f90: No such file or directory Husak Michal
[QE-users] Fail to build QE with MSYS2 and gfortran Fatal Error: device_auxfunc_interf.f90: No such file or directory Husak Michal
[QE-users] A problem with U calculation (HP code) Sergey Lisenkov
[QE-users] A problem with U calculation (HP code) Iurii TIMROV
[QE-users] Error in routine good_fft_order (1): invalid np Husak Michal
[QE-users] Does QE contain any OpenMP optimization ? Husak Michal
[QE-users] Does QE contain any OpenMP optimization ? Lorenzo Paulatto
[QE-users] Does QE contain any OpenMP optimization ? Paolo Giannozzi
[QE-users] Failed relax calculation sourav das
[QE-users] problem with NEB calculation- "problem computing cholesky" Aritri Roy
[QE-users] Wannier 2022 Summer School (16-20 May 2022) MARRAZZO ANTIMO
[QE-users] problem with NEB calculation- "problem computing cholesky" Takahiro Chiba
[QE-users] Failed relax calculation Paolo Giannozzi
[QE-users] Does QE contain any OpenMP optimization ? Husak Michal

Last message date: Mon Jan 31 21:01:11 CET 2022
Archived on: Mon Jan 31 21:00:59 CET 2022

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