July 2020 Archives by date

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Starting: Wed Jul 1 11:55:51 CEST 2020
Ending: Fri Jul 31 16:39:26 CEST 2020
Messages: 341

• [QE-users] External Pressure, How to see the change in lattice parameters, How to apply External magnetic field, Apply external Electric Field   Mostafa Marzouk
• [QE-users] second step of scf in relax calculations didn't converge   Coralie Khabbaz
• [QE-users] second step of scf in relax calculations didn't converge   Matteo Cococcioni
• [QE-users] second step of scf in relax calculations didn't converge   Coralie Khabbaz
• [QE-users] second step of scf in relax calculations didn't converge   Coralie Khabbaz
• [QE-users] second step of scf in relax calculations didn't converge   Giuseppe Mattioli
• [QE-users] second step of scf in relax calculations didn't converge   Coralie Khabbaz
• [QE-users] Recovering ph.x calculation   Luiz Gustavo Davanse da Silveira
• [QE-users] second step of scf in relax calculations didn't converge   Giuseppe Mattioli
• [QE-users] Gamma Point   Felipe Toledo Carrasco
• [QE-users] dmat.exe error   Максим Чекулаев
• [QE-users] supercell   Neelam Swarnkar
• [QE-users] phono3py   tanmay chaki
• [QE-users] Gamma Point   Lorenzo Paulatto
• [QE-users] phono3py   Lorenzo Paulatto
• [QE-users] dmat.exe error   Paolo Giannozzi
• [QE-users] supercell   Saibabu Madas
• [QE-users] dmat.exe error   Максим Чекулаев
• [QE-users] supercell   Neelam Swarnkar
• [QE-users] pw4gww.x crashes   Tamas Karpati
• [QE-users] Doubling the k points - reg   singaravelan T R
• [QE-users] Doubling the k points - reg   Lorenzo Paulatto
• [QE-users] supercell   Neelam Swarnkar
• [QE-users] supercell   Lorenzo Paulatto
• [QE-users] Spin polarized calculation not implemented for "optbk88" functional   Shen, Ziheng
• [QE-users] Compilation error of QE develop version   Jibiao Li
• [QE-users] configure error: Could not find required libxc library.   Jibiao Li
• [QE-users] Eigenvalues from hybrid SCF calculations   Abhirup Patra
• [QE-users] configure error: Could not find required libxc library.   Fabrizio Ferrari
• [QE-users] configure error: Could not find required libxc library.   Jibiao Li
• [QE-users] supercell   Neelam Swarnkar
• [QE-users] Getting error while reading UPF file on upftool qe   柯莫
• [QE-users] (no subject)   Chemam faïçal
• [QE-users] Doubling the k points - Reg   singaravelan T R
• [QE-users] Convergence test for ecutrho - Reg   singaravelan T R
• [QE-users] Doubling the k points - Reg   rekha sharma
• [QE-users] Convergence test for ecutrho - Reg   rekha sharma
• [QE-users] Smearing in metals - what are metals in the context of Quantum espresso - Reg   singaravelan T R
• [QE-users] Smearing in metals - what are metals in the context of Quantum espresso - Reg   Michal Krompiec
• [QE-users] Band structure with HSE   Antoine Jay
• [QE-users] Band structure with HSE   rekha sharma
• [QE-users] supercell   Yue-Wen Fang
• [QE-users] Spin polarized calculation not implemented for "optbk88" functional   Paolo Giannozzi
• [QE-users] ?==?utf-8?q? Band structure with HSE   Antoine Jay
• [QE-users] Problem in Tc calculation   Devaparna Bhattacharya
• [QE-users] supercell   Neelam Swarnkar
• [QE-users] Sum rule violation - turbo_eels   Anibal Bezerra
• [QE-users] pseudopotentials up to Z=118 ?   Ilias Miroslav, doc. RNDr., PhD.
• [QE-users] magnetic dipole matrix   Wang, Xiaoming
• [QE-users] Problem implementing Exact exchange part in HSE calculation   Nawaf A
• [QE-users] Problem implementing Exact exchange part in HSE calculation   Michal Krompiec
• [QE-users] pseudopotentials up to Z=118 ?   Lorenzo Paulatto
• [QE-users] Sum rule violation - turbo_eels   Oleksandr Motornyi
• [QE-users] pseudopotentials up to Z=118 ?   Malte Sachs
• [QE-users] Gamma Point   Felipe Toledo Carrasco
• [QE-users] supercell   Yue-Wen Fang
• [QE-users] Sum rule violation - turbo_eels   Timrov Iurii
• [QE-users] memory problem   Neelam Swarnkar
• [QE-users] memory problem   Michal Krompiec
• [QE-users] memory problem   Oleksandr Motornyi
• [QE-users] Doubling the k points for nscf calculation - Reg   singaravelan T R
• [QE-users] Doubling the k points for nscf calculation - Reg   Giuseppe Mattioli
• [QE-users] Carbon Nanotube work function calculation   John Travers
• [QE-users] Open_grid error: Error in routine pw_readschemafile (1): xml data file not found   TERSOO ATSUE
• [QE-users] Open_grid error: Error in routine pw_readschemafile (1): xml data file not found   Paolo Giannozzi
• [QE-users] pseudopotentials up to Z=118 ? / POTCAR files for QE ?   Ilias Miroslav, doc. RNDr., PhD.
• [QE-users] Problem implementing Exact exchange part in HSE   Nawaf A
• [QE-users] Formation energy calculation of silicon - Reg   singaravelan T R
• [QE-users] Open_grid error: Error in routine pw_readschemafile (1): xml data file not found   TERSOO ATSUE
• [QE-users] How to plot the |psi|^2 state for hole   Andrey Chibisov
• [QE-users] memory problem   Neelam Swarnkar
• [QE-users] memory problem   Neelam Swarnkar
• [QE-users] memory problem   Neelam Swarnkar
• [QE-users] memory problem   Neelam Swarnkar
• [QE-users] Carbon Nanotube work function calculation   dv009200 at fh-muenster.de
• [QE-users] How to plot the |psi|^2 state for hole   dv009200 at fh-muenster.de
• [QE-users] memory problem   Giuseppe Mattioli
• [QE-users] memory problem   Neelam Swarnkar
• [QE-users] memory problem   Giuseppe Mattioli
• [QE-users] memory problem   Neelam Swarnkar
• [QE-users] Carbon Nanotube work function calculation   John Travers
• [QE-users] Ionization energy with HSE   Shivesh Sivakumar
• [QE-users] Question about BaO rocksalt structure calculation   Wente Li
• [QE-users] Carbon Nanotube work function calculation   dv009200 at fh-muenster.de
• [QE-users] Formation energy calculation of silicon - Reg   dv009200 at fh-muenster.de
• [QE-users] Ionization energy with HSE   Giuseppe Mattioli
• [QE-users] Ionization energy with HSE   Michal Krompiec
• [QE-users] Sign convention of magnetization   박민규
• [QE-users] Error while using SCAN functional in hp.x   Abhirup Patra
• [QE-users] Error while using SCAN functional in hp.x   Timrov Iurii
• [QE-users] Occupation calculation - epsilon.x code   Anibal Bezerra
• [QE-users] Doping   Neelam Swarnkar
• [QE-users] Occupation calculation - epsilon.x code   Andrea Ferretti
• [QE-users] Error while using SCAN functional in hp.x   Abhirup Patra
• [QE-users] Carbon Nanotube work function calculation   John Travers
• [QE-users] Occupation calculation - epsilon.x code   Michal Krompiec
• [QE-users] Ionization energy with HSE   Shivesh Sivakumar
• [QE-users] head.x error   Michael Robertson
• [QE-users] Doping   Giovanni Cantele
• [QE-users] Error while using SCAN functional in hp.x   Timrov Iurii
• [QE-users] Doping   Neelam Swarnkar
• [QE-users] Geometry optimization using lfcpopt exited without any error message   Jibiao Li
• [QE-users] Geometry optimization using lfcpopt exited without any error message   Jibiao Li
• [QE-users] info QE-GPU on Marconi100 infrastructures   Giovanni Cantele
• [QE-users] [SPAM] Re: Occupation calculation - epsilon.x code   Anibal Bezerra
• [QE-users] Geometry optimization using lfcpopt exited without any error message   大谷実
• [QE-users] Geometry optimization using lfcpopt exited without any error message   Jibiao Li
• [QE-users] Problem of HSE scf calculation with QE code   ygxu17
• [QE-users] Problem of HSE scf calculation with QE code   Lorenzo Paulatto
• [QE-users] Problem of HSE scf calculation with QE code   ygxu17
• [QE-users] Problem of HSE scf calculation with QE code   Lorenzo Paulatto
• [QE-users] second scf calculation in relax calculation not converging   Coralie Khabbaz
• [QE-users] second scf calculation in relax calculation not converging   Coralie Khabbaz
• [QE-users] second scf calculation in relax calculation not converging   Duy Le
• [QE-users] second scf calculation in relax calculation not converging   Coralie Khabbaz
• [QE-users] second scf calculation in relax calculation not converging   Arles V. Gil Rebaza
• [QE-users] second scf calculation in relax calculation not converging   Coralie Khabbaz
• [QE-users] second scf calculation in relax calculation not converging   Duy Le
• [QE-users] second scf calculation in relax calculation not converging   Coralie Khabbaz
• [QE-users] second scf calculation in relax calculation not converging   Duy Le
• [QE-users] Geometry optimization using lfcpopt exited without any error message   Jibiao Li
• [QE-users] Error with pw2gw.x   Shivesh Sivakumar
• [QE-users] Queries regarding Winmostar   Joy Sarkar
• [QE-users] Re9: second scf calculation in relax calculation not converging   Lucas Nicolás Lodeiro Moraga
• [QE-users] relax not converging after many scf cycles   후신 부지드
• [QE-users] Re9: second scf calculation in relax calculation not converging   Coralie Khabbaz
• [QE-users] Units for {crystal_b} Configuration   Stephen Zhang
• [QE-users] Units for {crystal_b} Configuration   Pietro Delugas
• [QE-users] How to use plotband for spin polarized calculations?   Stephen Zhang
• [QE-users] Error with pw2gw.x   Shivesh Sivakumar
• [QE-users] Plotting Spin up and Spin down bands?   Stephen Zhang
• [QE-users] Error with pw2gw.x   Paolo Giannozzi
• [QE-users] second scf calculation in relax calculation not converging   Paolo Giannozzi
• [QE-users] Units for {crystal_b} Configuration   Stephen Zhang
• [QE-users] Plotting Spin up and Spin down bands?   Mona Asadinamin
• [QE-users] CuO relaxation problem   Mona Asadinamin
• [QE-users] Plotting Spin up and Spin down bands?   Yue-Wen Fang
• [QE-users] CuO relaxation problem   Yue-Wen Fang
• [QE-users] Plotting Spin up and Spin down bands?   Stephen Zhang
• [QE-users] Error with pw2gw.x   Shivesh Sivakumar
• [QE-users] Error with pw2gw.x   Paolo Giannozzi
• [QE-users] Plotting Spin up and Spin down bands?   Stephen Zhang
• [QE-users] Fwd: Does QE considers the spatial orientation of d orbital?   Shubham Tyagi
• [QE-users] Error with pw2gw.x   Shivesh Sivakumar
• [QE-users] Plotting Spin up and Spin down bands?   Mona Asadinamin
• [QE-users] Should I fix adsorbate in relax calculation?   Coralie Khabbaz
• [QE-users] Fwd: Does QE considers the spatial orientation of d orbital?   Lorenzo Paulatto
• [QE-users] CuO relaxation problem   Mona Asadinamin
• [QE-users] Ultrasoft Pseudopotential for Thorium with a lesser suggested cutoff wavefunction   Abhishek Kumar Adak
• [QE-users] a problem in the source code of plotrho.f90   jqhuang16b at imr.ac.cn
• [QE-users] a problem in the source code of plotrho.f90   Paolo Giannozzi
• [QE-users] Re2: CuO relaxation problem   Lucas Nicolás Lodeiro Moraga
• [QE-users] a problem in the source code of plotrho.f90   jqhuang16b at imr.ac.cn
• [QE-users] The differences between different source packages on github for q-e.   Hongyi Zhao
• [QE-users] `make all` failed to generate pw_export.x.   Hongyi Zhao
• [QE-users] `make all` failed to generate pw_export.x.   Paolo Giannozzi
• [QE-users] `make all` failed to generate pw_export.x.   Hongyi Zhao
• [QE-users] ?==?utf-8?q? `make all` failed to generate pw_export.x.   Antoine Jay
• [QE-users] ?==?utf-8?q? `make all` failed to generate pw_export.x.   Hongyi Zhao
• [QE-users] `make all` failed to generate pw_export.x.   Paolo Giannozzi
• [QE-users] `make all` failed to generate pw_export.x.   Tamas Karpati
• [QE-users] error in routine pw_readschemafile (1): xml data file not found   Vivek Christhunathan
• [QE-users] error in routine pw_readschemafile (1): xml data file not found   Pooja Vyas
• [QE-users] error in routine pw_readschemafile (1): xml data file not found   Vivek Christhunathan
• [QE-users] error in routine pw_readschemafile (1): xml data file not found   Pooja Vyas
• [QE-users] error in routine pw_readschemafile (1): xml data file not found   Lorenzo Paulatto
• [QE-users] Non-converging vc-relaxation calculation   Stephen Zhang
• [QE-users] Non-converging vc-relaxation calculation   Lorenzo Paulatto
• [QE-users] [SUSPECT ATTACHMENT REMOVED] Re: error in routine pw_readschemafile (1): xml data file not found   Vivek Christhunathan
• [QE-users] [SUSPECT ATTACHMENT REMOVED] Re: error in routine pw_readschemafile (1): xml data file not found   Paolo Giannozzi
• [QE-users] `make all` failed to generate pw_export.x.   Hongyi Zhao
• [QE-users] [SUSPECT ATTACHMENT REMOVED] Re: error in routine pw_readschemafile (1): xml data file not found   Vivek Christhunathan
• [QE-users] [SUSPECT ATTACHMENT REMOVED] Re: error in routine pw_readschemafile (1): xml data file not found   Lorenzo Paulatto
• [QE-users] [SUSPECT ATTACHMENT REMOVED] Re: error in routine pw_readschemafile (1): xml data file not found   Pooja Vyas
• [QE-users] [SUSPECT ATTACHMENT REMOVED] Re: error in routine pw_readschemafile (1): xml data file not found   Vivek Christhunathan
• [QE-users] [SUSPECT ATTACHMENT REMOVED] Re: error in routine pw_readschemafile (1): xml data file not found   Vivek Christhunathan
• [QE-users] [SUSPECT ATTACHMENT REMOVED] Re: error in routine pw_readschemafile (1): xml data file not found   Pooja Vyas
• [QE-users] [SUSPECT ATTACHMENT REMOVED] Re: error in routine pw_readschemafile (1): xml data file not found   Pooja Vyas
• [QE-users] [SUSPECT ATTACHMENT REMOVED] Re: error in routine pw_readschemafile (1): xml data file not found   Vivek Christhunathan
• [QE-users] [SUSPECT ATTACHMENT REMOVED] Re: error in routine pw_readschemafile (1): xml data file not found   Pooja Vyas
• [QE-users] [SUSPECT ATTACHMENT REMOVED] Re: error in routine pw_readschemafile (1): xml data file not found   Vivek Christhunathan
• [QE-users] Non-converging vc-relaxation calculation   Mona Asadinamin
• [QE-users] error in routine pw_readschemafile (1): xml data file not found   Mona Asadinamin
• [QE-users] [SUSPECT ATTACHMENT REMOVED] Re: error in routine pw_readschemafile (1): xml data file not found   Lorenzo Paulatto
• [QE-users] error in routine pw_readschemafile (1): xml data file not found   Vivek Christhunathan
• [QE-users] [SUSPECT ATTACHMENT REMOVED] Re: error in routine pw_readschemafile (1): xml data file not found   Vivek Christhunathan
• [QE-users] [SUSPECT ATTACHMENT REMOVED] Re: error in routine pw_readschemafile (1): xml data file not found   Lorenzo Paulatto
• [QE-users] [SUSPECT ATTACHMENT REMOVED] Re: error in routine pw_readschemafile (1): xml data file not found   Vivek Christhunathan
• [QE-users] Non-converging vc-relaxation calculation   Robert Stanton
• [QE-users] Need a script that can convert primitive cell file file using conventional cell cif file   rekha sharma
• [QE-users] Need a script that can convert primitive cell file file using conventional cell cif file   Yuvam Bhateja
• [QE-users] Need a script that can convert primitive cell file file using conventional cell cif file   rekha sharma
• [QE-users] Need a script that can convert primitive cell file file using conventional cell cif file   Hung Pham
• [QE-users] Need a script that can convert primitive cell file file using conventional cell cif file   Hung Pham
• [QE-users] Need a script that can convert primitive cell file file using conventional cell cif file   Matthew Marcus
• [QE-users] Need a script that can convert primitive cell file file using conventional cell cif file   Vahid Askarpour
• [QE-users] Need a script that can convert primitive cell file file using conventional cell cif file   rekha sharma
• [QE-users] Need a script that can convert primitive cell file file using conventional cell cif file   Hung Pham
• [QE-users] Need a script that can convert primitive cell file file using conventional cell cif file   rekha sharma
• [QE-users] Need a script that can convert primitive cell file file using conventional cell cif file   Hung Pham
• [QE-users] Need a script that can convert primitive cell file file using conventional cell cif file   rekha sharma
• [QE-users] Error with pw2gw.x   Shivesh Sivakumar
• [QE-users] Need a script that can convert primitive cell file file using conventional cell cif file   Yue-Wen Fang
• [QE-users] Need a script that can convert primitive cell file file using conventional cell cif file   rekha sharma
• [QE-users] Need a script that can convert primitive cell file file using conventional cell cif file   Yue-Wen Fang
• [QE-users] Need a script that can convert primitive cell file file using conventional cell cif file   M.J. Hutcheon
• [QE-users] Need a script that can convert primitive cell file file using conventional cell cif file   Lorenzo Paulatto
• [QE-users] Error during quantum espresso compiling   Mohad Abbasnejad
• [QE-users] Error during quantum ESPRESSO compiling   Mohad Abbasnejad
• [QE-users] Need a script that can convert primitive cell file file using conventional cell cif file   rekha sharma
• [QE-users] Need a script that can convert primitive cell file file using conventional cell cif file   rekha sharma
• [QE-users] Need a script that can convert primitive cell file file using conventional cell cif file   Lorenzo Paulatto
• [QE-users] Need a script that can convert primitive cell file file using conventional cell cif file   Vahid Askarpour
• [QE-users] Momentum matrix element with HSE   Shivesh Sivakumar
• [QE-users] Very Complex Crystal?   Stephen Zhang
• [QE-users] Whether do I need to building my own FFTW3 Interface Wrapper Library or use the integrated one of intel parallel studio for compiling q-e?   Hongyi Zhao
• [QE-users] Chosing OFLAG for intel parallel studio when compiling q-e.   Hongyi Zhao
• [QE-users] Very Complex Crystal?   Pietro Bonfa
• [QE-users] wrong orthogonalization at many k points.   Poonam Kaushik
• [QE-users] lda_plus_u_kind=2   Andrew Supka
• [QE-users] lda_plus_u_kind=2   Matteo Cococcioni
• [QE-users] Whether do I need to building my own FFTW3 Interface Wrapper Library or use the integrated one of intel parallel studio for compiling q-e?   Hongyi Zhao
• [QE-users] lda_plus_u_kind=2   Andrew Supka
• [QE-users] Chosing OFLAG for intel parallel studio when compiling q-e.   Hongyi Zhao
• [QE-users] Chosing OFLAG for intel parallel studio when compiling q-e.   Hongyi Zhao
• [QE-users] Chosing OFLAG for intel parallel studio when compiling q-e.   Hongyi Zhao
• [QE-users] How to find suitable direction for transferred momentum qi in turbo_eels.x code   Andrey Chibisov
• [QE-users] q-e with `--enable-openmp' option doesn't give any performance boost, so should I set it or not for compiling?   Hongyi Zhao
• [QE-users] How to find suitable direction for transferred momentum qi in turbo_eels.x code   Oleksandr Motornyi
• [QE-users] why scf calculation give : Error in routine cell_base_init (1): lattice parameter not specified   Ismail BENAICHA
• [QE-users] why scf calculation give : Error in routine cell_base_init (1): lattice parameter not specified   Nicola Marzari
• [QE-users] why scf calculation give : Error in routine cell_base_init (1): lattice parameter not specified   Hongyi Zhao
• [QE-users] energy band   Neelam Swarnkar
• [QE-users] c_bands: 2 eigenvalues not converged   Vivek Christhunathan
• [QE-users] How to find suitable direction for transferred momentum qi in turbo_eels.x code   Timrov Iurii
• [QE-users] How to find suitable direction for transferred momentum qi in turbo_eels.x code   Andrey Chibisov
• [QE-users] c_bands: 2 eigenvalues not converged   Pietro Delugas
• [QE-users] lda_plus_u_kind=2   Timrov Iurii
• [QE-users] pwtk and pwgui.   Hongyi Zhao
• [QE-users] lda_plus_u_kind=2   Andrew Supka
• [QE-users] regarding error in bands name list   Satyasiban Dash ph19d005
• [QE-users] regarding error in bands name list   Lorenzo Paulatto
• [QE-users] c_bands: 2 eigenvalues not converged   Vivek Christhunathan
• [QE-users] c_bands: 2 eigenvalues not converged   Pietro Delugas
• [QE-users] oscillating energy value during optimization   Coralie Khabbaz
• [QE-users] energy band   Mona Asadinamin
• [QE-users] oscillating energy value during optimization   Nicola Marzari
• [QE-users] c_bands: 2 eigenvalues not converged   Vivek Christhunathan
• [QE-users] energy band   Neelam Swarnkar
• [QE-users] [SUSPECT ATTACHMENT REMOVED] vc-relax changes the lattice constants too much   Xiaowei Zhang
• [QE-users] energy band   Mona Asadinamin
• [QE-users] energy band   Neelam Swarnkar
• [QE-users] regarding error in bands name list   Satyasiban Dash ph19d005
• [QE-users] Environ and 2D slab pp.x potential   Antonio Crepaldi
• [QE-users] [EXT] Environ and 2D slab pp.x potential   Andreussi, Oliviero
• [QE-users] [EXT] Environ and 2D slab pp.x potential   Andreussi, Oliviero
• [QE-users] Raman Spectra with hybrid functional   Sandeep KUMAR
• [QE-users] Raman Spectra with hybrid functional   Timrov Iurii
• [QE-users] error in k point card   Satyasiban Dash ph19d005
• [QE-users] Dear QE experts   Satyasiban Dash ph19d005
• [QE-users] error in k point card   Mona Asadinamin
• [QE-users] error in k point card   Mona Asadinamin
• [QE-users] Raman Spectra with hybrid functional   Sandeep KUMAR
• [QE-users] External electrical field through point charge   dv009200 at fh-muenster.de
• [QE-users] [EXT] External electrical field through point charge   Andreussi, Oliviero
• [QE-users] Raman Spectra with hybrid functional   Lorenzo Paulatto
• [QE-users] Raman Spectra with hybrid functional   Sandeep KUMAR
• [QE-users] Regarding el-ph coupling constant and superconducting transition temperature   Amir Hossein TALEBI HABIBABADI
• [QE-users] Raman Spectra with hybrid functional   Arles V. Gil Rebaza
• [QE-users] [EXT] External electrical field through point charge   dv009200 at fh-muenster.de
• [QE-users] Different kinds of pseudopotentials used in one calculation   Leo Yang
• [QE-users] Different kinds of pseudopotentials used in one calculation   Nicola Marzari
• [QE-users] functional in pseudopotential files for Van der Waal correction   Leo Yang
• [QE-users] Fw: Oxidation-State Constrained DFT   Ganapati Natarajan
• [QE-users] Enquiry about the k point error in nscf calculation   Kenan Song
• [QE-users] [EXT] Environ and 2D slab pp.x potential   Antonio Crepaldi
• [QE-users] [EXT] Environ and 2D slab pp.x potential   Andreussi, Oliviero
• [QE-users] pw.x Bands Calculation not Converging for Ba4Sn9Bi3   Stephen Zhang
• [QE-users] Accuracy conduction bands   Lun Yue
• [QE-users] Wrong position of fermi level in bulk Cr2O3   Yuvam Bhateja
• [QE-users] Thermal trap ionizations energy evaluation   Тимофей Перевалов
• [QE-users] Wrong position of fermi level in bulk Cr2O3   Pietro Delugas
• [QE-users] Wrong position of fermi level in bulk Cr2O3   Nicola Marzari
• [QE-users] Wrong position of fermi level in bulk Cr2O3   Yuvam Bhateja
• [QE-users] Wrong position of fermi level in bulk Cr2O3   Pietro Delugas
• [QE-users] Wrong position of fermi level in bulk Cr2O3   Yuvam Bhateja
• [QE-users] Thermal trap ionizations energy evaluation   Pietro Delugas
• [QE-users] Wrong position of fermi level in bulk Cr2O3   Yuvam Bhateja
• [QE-users] Error while giving make gipaw - Reg   singaravelan T R
• [QE-users] pw.x Bands Calculation not Converging for Ba4Sn9Bi3   Tamas Karpati
• [QE-users] Unexpected KNL MCDRAM cache size 269156352, Unexpected KNL MCDRAM cache size 269156352, Abort(1) on node 35 (rank 35 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 1) - process 35   Gürcan Serttaş
• [QE-users] Regarding el-ph coupling constant and superconducting transition temperature   Amir Hossein TALEBI HABIBABADI
• [QE-users] looking for someone to perform calculations   Coralie Khabbaz
• [QE-users] relaxation calculation not converging   Coralie Khabbaz
• [QE-users] Problem with hp.x for f-metals   Abhirup Patra
• [QE-users] Problem with hp.x for f-metals   Timrov Iurii
• [QE-users] [EXT] Environ and 2D slab pp.x potential   Mauro Sgroi
• [QE-users] Problem with hp.x for f-metals   Abhirup Patra
• [QE-users] Error in routine card_atomic_positions (2): ATOMIC_SPECIES must be present before   Diship Srivastava
• [QE-users] Re2: pw.x Bands Calculation not Converging for Ba4Sn9Bi3   Lucas Nicolás Lodeiro Moraga
• [QE-users] Regarding el-ph coupling constant and superconducting transition temperature   Lorenzo Paulatto
• [QE-users] Xspectra_error   Mostafa Marzouk
• [QE-users] Problem with hp.x for f-metals   Abhirup Patra
• [QE-users] value of S^2 in LSDA   Christoph Wolf
• [QE-users] energy band   Neelam Swarnkar
• [QE-users] Choosing proper ecut value   Satyasiban Dash ph19d005
• [QE-users] [QE-developers] Problem regarding installation   Nicola Marzari
• [QE-users] Choosing proper ecut value   pboulet
• [QE-users] energy band   Mona Asadinamin
• [QE-users] Problem with hp.x for f-metals   Timrov Iurii
• [QE-users] Xspectra_error   Marcelo Albuquerque
• [QE-users] Not geeting enough bands   Poonam Kaushik
• [QE-users] Not geeting enough bands   Michal Krompiec
• [QE-users] Not geeting enough bands   Manoar Hossain
• [QE-users] Problem with hp.x for f-metals   Mona Asadinamin
• [QE-users] Problem with hp.x for f-metals   Timrov Iurii
• [QE-users] Problem with hp.x for f-metals   Abhirup Patra
• [QE-users] Bands Coordinates do not Match   Davi Alefe
• [QE-users] Errors reading psudopotential files, "not a valid URI"   ROBERT J HAMERS
• [QE-users] Modifying the NSX?   Stephen Zhang
• [QE-users] Dist.x   Regina Lelis de Sousa
• [QE-users] Dist.x   michel at if.usp.br
• [QE-users] Computing frozen phonons for a ferromagnetic system   Hien Vo
• [QE-users] [EXT] Environ and 2D slab pp.x potential   Andreussi, Oliviero
• [QE-users] Errors reading psudopotential files, "not a valid URI"   Pietro Delugas
• [QE-users] Modifying the NSX?   Pietro Delugas
• [QE-users] Computing frozen phonons for a ferromagnetic system   Pietro Delugas
• [QE-users] Thermal trap ionizations energy evaluation   Тимофей Перевалов
• [QE-users] Dist.x   Regina Lelis de Sousa
• [QE-users] Dist.x   Claudio A. Perottoni
• [QE-users] Dist.x   michel at if.usp.br
• [QE-users] Dist.x   Regina Lelis de Sousa
• [QE-users] Slab calculation doesn't converge when Environ is added to the job   Reinaldo Pis Diez
• [QE-users] [EXT] Environ and 2D slab pp.x potential   Antonio Crepaldi
• [QE-users] bug in QuantumEspreso ?   Marx non
• [QE-users] No SCF convergence for simple actinide compounds   Sergei Butorin
• [QE-users] Interested in difficult to converge systems   John McFarland
• [QE-users] Interested in difficult to converge systems   Tamas Karpati
• [QE-users] Interested in difficult to converge systems   Matthew Marcus
• [QE-users] How to extract nearest neighbour information from hr.dat file of Wannier-90   Soumyadeep
• [QE-users] No SCF convergence for simple actinide compounds   Lorenzo Paulatto

Last message date: Fri Jul 31 16:39:26 CEST 2020
Archived on: Fri Jul 31 16:39:50 CEST 2020

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