October 2020 Archives by date
Starting: Thu Oct 1 07:20:58 CEST 2020
Ending: Sat Oct 31 08:04:46 CET 2020
Messages: 296
- [QE-users] Problem for testing k convergence
Anupriya Nyayban
- [QE-users] Problem for testing k convergence
Pietro Delugas
- [QE-users] Problems with Fe ONCV pseudopotential
Christoph Wolf
- [QE-users] Problems with Fe ONCV pseudopotential
Nicola Marzari
- [QE-users] I-V measurement
Tanvir Ahmed
- [QE-users] Error in Calculating the d2ns_bare matrix in ph.x
Mohad Abbasnejad
- [QE-users] Error in Calculating the d2ns_bare matrix in ph.x
Timrov Iurii
- [QE-users] Restart Raman when nimage>1
Antoine Jay
- [QE-users] Regarding Hybrid functionals in QE
Sai vishnu
- [QE-users] Charged Systems and PBC Corrections
Robert Stanton
- [QE-users] Reagarding LAYERS
Sai vishnu
- [QE-users] Electronic Analysis of Trimmed (MD minimized) Structure
Jatin Kashyap
- [QE-users] Error in Calculating the d2ns_bare matrix in ph.x
Mohad Abbasnejad
- [QE-users] not orthogonal operation in dos.x run only
Lucas Dória
- [QE-users] not orthogonal operation in dos.x run only
Paolo Giannozzi
- [QE-users] 3d band structure and kpoint : crystal_c
Masum Alihosseini
- [QE-users] Nanostructures
Premlata Narwaria
- [QE-users] [EXT] Charged Systems and PBC Corrections
Andreussi, Oliviero
- [QE-users] Error in Calculating the d2ns_bare matrix in ph.x
Timrov Iurii
- [QE-users] gvectors.dat gone in QE 6.0 and beyond, how to extract it?
Neven Golenić
- [QE-users] QE calculate dipole moment
Prince🐳
- [QE-users] query about switching from obtb86-vdw to PBE-vDW
rekha sharma
- [QE-users] gvectors.dat gone in QE 6.0 and beyond, how to extract it?
Paolo Giannozzi
- [QE-users] Is wfcdir still functional?
Daniel Marchand
- [QE-users] Computing inner products involving orbitals
Andrew Xu
- [QE-users] Computing inner products involving orbitals
Matteo Cococcioni
- [QE-users] Computing inner products involving orbitals
Lorenzo Paulatto
- [QE-users] Computing inner products involving orbitals
Andrew Xu
- [QE-users] Problem for testing k convergence
Anupriya Nyayban
- [QE-users] Underestimated Adsorption Energy with optB88-vdW
Gabriel Bramley
- [QE-users] Underestimated Adsorption Energy with optB88-vdW
Tamas Karpati
- [QE-users] Huge difference between Wall time and CPU time in electron-phonon calculation
pippo pippo
- [QE-users] Underestimated Adsorption Energy with optB88-vdW
Gabriel Bramley
- [QE-users] Huge difference between Wall time and CPU time in electron-phonon calculation
Paolo Giannozzi
- [QE-users] Is wfcdir still functional?
Paolo Giannozzi
- [QE-users] Naming convention of PSlibrary pseudopotentials
박민규
- [QE-users] Is wfcdir still functional?
Takahiro Chiba
- [QE-users] Naming convention of PSlibrary pseudopotentials
Andrea Dal Corso
- [QE-users] Band unfolding in QE v6.6
William Hewett
- [QE-users] Is wfcdir still functional?
Takahiro Chiba
- [QE-users] gather_grid function
Andrew Xu
- [QE-users] Band unfolding in QE v6.6
Paolo Giannozzi
- [QE-users] Is wfcdir still functional?
Paolo Giannozzi
- [QE-users] Is wfcdir still functional?
Paolo Giannozzi
- [QE-users] Underestimated Adsorption Energy with optB88-vdW
Tamas Karpati
- [QE-users] viewing trajectories in VMD, axsf conversion
Michal Krompiec
- [QE-users] viewing trajectories in VMD, axsf conversion
Tone Kokalj
- [QE-users] Orbital ordering in orbital projected band structure with spin orbit coupling
Soumyadeep
- [QE-users] gvectors.dat gone in QE 6.0 and beyond, how to extract it?
Neven Golenić
- [QE-users] Underestimated Adsorption Energy with optB88-vdW
Gabriel Bramley
- [QE-users] Format of FFT grid for Potential
Shivesh Sivakumar
- [QE-users] Format of FFT grid for Potential (Shivesh Sivakumar)
Marcelo Albuquerque
- [QE-users] Format of FFT grid for Potential (Shivesh Sivakumar)
Shivesh Sivakumar
- [QE-users] Format of FFT grid for Potential
Paolo Giannozzi
- [QE-users] quasi fermi levels and excited populations in Quantum-Espresso
Rossi, Thomas
- [QE-users] Format of FFT grid for Potential
Shivesh Sivakumar
- [QE-users] Problem with bands_pp in quantum espresso
Naharin Jannath
- [QE-users] Workstation:-Reg
Suresh A
- [QE-users] Problem with bands_pp in quantum espresso
Paolo Giannozzi
- [QE-users] Is "block" a FORTRAN keyword? I see funny color in line qe-6.6/Modules/input_parameters.f90:656 when I open the file with VSCode or gedit
连云龙
- [QE-users] Is "block" a FORTRAN keyword? I see funny color in line qe-6.6/Modules/input_parameters.f90:656 when I open the file with VSCode or gedit
Lorenzo Paulatto
- [QE-users] Is "block" a FORTRAN keyword? I see funny color in line qe-6.6/Modules/input_parameters.f90:656 when I open the file with VSCode or gedit
Paolo Giannozzi
- [QE-users] Is "block" a FORTRAN keyword? I see funny color in line qe-6.6/Modules/input_parameters.f90:656 when I open the file with VSCode or gedit
pdelugas at sissa.it
- [QE-users] Underestimated Adsorption Energy with optB88-vdW
Tamas Karpati
- [QE-users] error while calculating InAs phonon dispersion with QE 6.5
Sheikh Ziauddin Ahmed
- [QE-users] Error in ph.x
LEUNG Clarence
- [QE-users] Error in ph.x
LEUNG Clarence
- [QE-users] Error in ph.x
Lorenzo Paulatto
- [QE-users] Is "block" a FORTRAN keyword? I see funny color in line qe-6.6/Modules/input_parameters.f90:656 when I open the file with VSCode or gedit
连云龙
- [QE-users] Error in ph.x
LEUNG Clarence
- [QE-users] Error in ph.x
LEUNG Clarence
- [QE-users] Atoms switching after certain time step in cp.x
Abhirup Patra
- [QE-users] Is there any problem if I use less ecutwfc and ecutrho than the suggested value in the pp file?
ENDALE ABEBE
- [QE-users] Calculating U parameter for Ni in LiNiO2 using hp.x
Mohammad Moaddeli
- [QE-users] Is "block" a FORTRAN keyword? I see funny color in line qe-6.6/Modules/input_parameters.f90:656 when I open the file with VSCode or gedit
Pietro Delugas
- [QE-users] Is "block" a FORTRAN keyword? I see funny color in line qe-6.6/Modules/input_parameters.f90:656 when I open the file with VSCode or gedit
lianyl
- [QE-users] Is "block" a FORTRAN keyword? I see funny color in line qe-6.6/Modules/input_parameters.f90:656 when I open the file with VSCode or gedit
Lorenzo Paulatto
- [QE-users] Error in ph.x
Lorenzo Paulatto
- [QE-users] Error in ph.x
LEUNG Clarence
- [QE-users] Is "block" a FORTRAN keyword? I see funny color in line qe-6.6/Modules/input_parameters.f90:656 when I open the file with VSCode or gedit
lianyl
- [QE-users] Error in ph.x
Paolo Giannozzi
- [QE-users] Atoms switching after certain time step in cp.x
Paolo Giannozzi
- [QE-users] Is there any problem if I use less ecutwfc and ecutrho than the suggested value in the pp file?
Paolo Giannozzi
- [QE-users] Error in ph.x
连云龙
- [QE-users] Problem with bands_pp in quantum espresso
Paolo Giannozzi
- [QE-users] Error in ph.x
Paolo Giannozzi
- [QE-users] Error in ph.x
连云龙
- [QE-users] Calculating U parameter for Ni in LiNiO2 using hp.x
Timrov Iurii
- [QE-users] Calculating U parameter for Ni in LiNiO2 using hp.x
Mohammad Moaddeli
- [QE-users] Calculating U parameter for Ni in LiNiO2 using hp.x
Timrov Iurii
- [QE-users] FFT grid problems with ph.x
Jakob Kraus
- [QE-users] Atoms switching after certain time step in cp.x
Abhirup Patra
- [QE-users] FFT grid problems with ph.x
Paolo Giannozzi
- [QE-users] Regarding Surface passivation
Sai vishnu
- [QE-users] Query regarding k path selection, mismatching of band gap
Poonam Kaushik
- [QE-users] Query regarding k path selection, mismatching of band gap
Nicola Marzari
- [QE-users] Query regarding k path selection, mismatching of band gap
Poonam Kaushik
- [QE-users] Query regarding k path selection, mismatching of band gap
Nicola Marzari
- [QE-users] error while calculating InAs phonon dispersion with QE 6.5
Paolo Giannozzi
- [QE-users] error while calculating InAs phonon dispersion with QE 6.5
Sheikh Ziauddin Ahmed
- [QE-users] Query regarding k path selection, mismatching of band gap
Poonam Kaushik
- [QE-users] Query regarding k path selection, mismatching of band gap
Vahid Askarpour
- [QE-users] Query regarding k path selection, mismatching of band gap
Poonam Kaushik
- [QE-users] error while calculating InAs phonon dispersion with QE 6.5
Paolo Giannozzi
- [QE-users] Query regarding k path selection, mismatching of band gap
Poonam Kaushik
- [QE-users] simple_ip error
Anibal Thiago Bezerra
- [QE-users] Problems with Fe ONCV pseudopotential part 2
Sasha Fonari
- [QE-users] Underestimated Adsorption Energy with optB88-vdW
Gabriel Bramley
- [QE-users] error while calculating InAs phonon dispersion with QE 6.5
Sheikh Ziauddin Ahmed
- [QE-users] simple_ip error
Paolo Giannozzi
- [QE-users] convergence thresholds
pboulet
- [QE-users] convergence thresholds
Paolo Giannozzi
- [QE-users] Problem solved: FFT grid problems with ph.x
Jakob Kraus
- [QE-users] Query on pw.x error for 'relax' calculation
Naharin Jannath
- [QE-users] Query on pw.x error for 'relax' calculation
Ing. Martin Matas
- [QE-users] Underestimated Adsorption Energy with optB88-vdW
Tamas Karpati
- [QE-users] Underestimated Adsorption Energy with optB88-vdW
Gabriel Bramley
- [QE-users] not orthogonal operation in dos.x run only
Lucas Dória
- [QE-users] error in pw.x
Sai vishnu
- [QE-users] ph.x calculation with DPT+U
LEUNG Clarence
- [QE-users] not orthogonal operation in dos.x run only
Paolo Giannozzi
- [QE-users] error in pw.x
Paolo Giannozzi
- [QE-users] Regarding calculation of optical properties
Mohad Abbasnejad
- [QE-users] Regarding calculation of optical properties
pboulet
- [QE-users] NEB with variable cell?
Andrii Shyichuk
- [QE-users] Band offsets and work function of 2D materials
Adewale Hammed
- [QE-users] NEB with variable cell?
A. Jain
- [QE-users] information about PGI compiler v20+ download
Sitangshu Bhattacharya
- [QE-users] information about PGI compiler v20+ download
Pietro Delugas
- [QE-users] information about PGI compiler v20+ download
Sitangshu Bhattacharya
- [QE-users] information about PGI compiler v20+ download
Pietro Delugas
- [QE-users] question on a comment line in gdiis_step() of bfgs_module.f90
连云龙
- [QE-users] fail to install qe 6.6 using /soft/compiler/intel/composer_xe_2013_sp1.0.080/bin/intel64/ifort
Shaofeng Wang
- [QE-users] A few questions about cell dynamics
Andrii Shyichuk
- [QE-users] Underestimated Adsorption Energy with optB88-vdW
Tamas Karpati
- [QE-users] fail to install qe 6.6 using /soft/compiler/intel/composer_xe_2013_sp1.0.080/bin/intel64/ifort
Paolo Giannozzi
- [QE-users] Regarding calculation of optical properties
Mohaddeseh Abbasnejad
- [QE-users] A few questions about cell dynamics
laurent pizzagalli
- [QE-users] ph.x calculation with DPT+U
Timrov Iurii
- [QE-users] error in recovering phonon calculation
Jacopo Simoni
- [QE-users] plot_num=11: strange behavior with GBRV PPs
Christoph Wolf
- [QE-users] error in recovering phonon calculation
Oscar Baseggio
- [QE-users] error in recovering phonon calculation
Jacopo Simoni
- [QE-users] error in recovering phonon calculation
Paolo Giannozzi
- [QE-users] How to calculate electron and hole effective mass in a particular direction from band structure plot
Kiran Yadav
- [QE-users] plot_num=11: strange behavior with GBRV PPs
Pietro Delugas
- [QE-users] Is there any problem if I use less ecutwfc and ecutrho than the suggested value in the pp file?
Andrii Shyichuk
- [QE-users] band gap calculated from scf vs nscf
Leo Yang
- [QE-users] Is there any problem if I use less ecutwfc and ecutrho than the suggested value in the pp file?
Andrii Shyichuk
- [QE-users] ph.x calculation with DPT+U
LEUNG Clarence
- [QE-users] Is there any problem if I use less ecutwfc and ecutrho than the suggested value in the pp file?
ENDALE ABEBE
- [QE-users] Is there any problem if I use less ecutwfc and ecutrho than the suggested value in the pp file?
ENDALE ABEBE
- [QE-users] Is there any problem if I use less ecutwfc and ecutrho than the suggested value in the pp file?
ENDALE ABEBE
- [QE-users] plot_num=11: strange behavior with GBRV PPs
Christoph Wolf
- [QE-users] pp.x does not seem to finish
Thanh-Nam Huynh
- [QE-users] pp.x does not seem to finish
Pietro Delugas
- [QE-users] information about PGI compiler v20+ download
Sitangshu Bhattacharya
- [QE-users] information about PGI compiler v20+ download
Louis Stuber
- [QE-users] information about PGI compiler v20+ download
Sitangshu Bhattacharya
- [QE-users] information about PGI compiler v20+ download
Louis Stuber
- [QE-users] NEB : path length is increasing
Omer Mutasim
- [QE-users] Problem for testing k convergence (Yang Liu)
liuyang
- [QE-users] How can we decide the spin state of the relaxed structure
samala nagaprasad reddy
- [QE-users] Electron-phonon calculation exited during running
Jibiao Li
- [QE-users] NEB : path length is increasing
Tamas Karpati
- [QE-users] Phonon dispersion and phonon density of states using VCA
Soumyadeep
- [QE-users] pp.x does not seem to finish
Marcelo Albuquerque
- [QE-users] About the rules for skipping the comment in the script cif2qe.sh.
Hongyi Zhao
- [QE-users] Increase velocity of phonon restart
Antoine Jay
- [QE-users] How can we decide the spin state of the relaxed structure
Andrii Shyichuk
- [QE-users] About the rules for skipping the comment in the script cif2qe.sh.
Carlo Nervi
- [QE-users] Calculating U parameter for Ni in LiNiO2 using hp.x
Mohammad Moaddeli
- [QE-users] NEB : path length is increasing
Omer Mutasim
- [QE-users] NEB : path length is increasing
Antoine Jay
- [QE-users] NEB : path length is increasing
Omer Mutasim
- [QE-users] pp.x does not seem to finish
Thanh-Nam Huynh
- [QE-users] pp.x does not seem to finish
Paolo Giannozzi
- [QE-users] Calculating U parameter for Ni in LiNiO2 using hp.x
Timrov Iurii
- [QE-users] pp.x does not seem to finish
Pietro Delugas
- [QE-users] Calculating U parameter for Ni in LiNiO2 using hp.x
Hongyi Zhao
- [QE-users] Calculating U parameter for Ni in LiNiO2 using hp.x
Timrov Iurii
- [QE-users] Calculating U parameter for Ni in LiNiO2 using hp.x
Hongyi Zhao
- [QE-users] B3LYD
Mohamed Ahmed Abd-Elati
- [QE-users] [QE-GPU] nscf calculation problem
lorenzo bastonero
- [QE-users] [QE-GPU] nscf calculation problem
Paolo Giannozzi
- [QE-users] mesh mismatch
Sergey Lisenkov
- [QE-users] mesh mismatch
Paolo Giannozzi
- [QE-users] mesh mismatch
Holzwarth, Natalie
- [QE-users] data/workflows positions at epfl
Nicola Marzari
- [QE-users] pseudopotential file reading error in 6.6a2-gpu
Zeeshan Ahmad
- [QE-users] Electron-phonon calculations stopped and exited
Jibiao Li
- [QE-users] pseudopotential file reading error in 6.6a2-gpu
Paolo Giannozzi
- [QE-users] Effective mass and mobility
Sai vishnu
- [QE-users] mesh mismatch
Paolo Giannozzi
- [QE-users] mesh mismatch
Sergey Lisenkov
- [QE-users] Band unfolding code recommendations
Soumyadeep
- [QE-users] Band unfolding code recommendations
Pietro Delugas
- [QE-users] ph.x calculation with DPT+U
LEUNG Clarence
- [QE-users] ph.x calculation with DPT+U
Timrov Iurii
- [QE-users] Band unfolding code recommendations
Soumyadeep
- [QE-users] ph.x calculation with DPT+U
LEUNG Clarence
- [QE-users] pseudopotential file reading error in 6.6a2-gpu
Zeeshan Ahmad
- [QE-users] Plotting of spin resolved wave functions
Ankit Sirohi
- [QE-users] NEB : path length is increasing
Omer Mutasim
- [QE-users] NEB : path length is increasing
Antoine Jay
- [QE-users] NEB : path length is increasing
Omer Mutasim
- [QE-users] Calculating U parameter for Ni in LiNiO2 using hp.x
Timrov Iurii
- [QE-users] NEB : path length is increasing
Antoine Jay
- [QE-users] NEB : path length is increasing
Michal Krompiec
- [QE-users] NEB : path length is increasing
Tamas Karpati
- [QE-users] NEB : path length is increasing
Omer Mutasim
- [QE-users] NEB : path length is increasing
Omer Mutasim
- [QE-users] NEB : path length is increasing
Omer Mutasim
- [QE-users] NEB : path length is increasing
Tamas Karpati
- [QE-users] NEB : path length is increasing
Omer Mutasim
- [QE-users] NEB : path length is increasing
Omer Mutasim
- [QE-users] NEB : path length is increasing
Omer Mutasim
- [QE-users] Problems with space-group and ibrav
Javier GONZALEZ PLATAS
- [QE-users] NEB : path length is increasing
Tamas Karpati
- [QE-users] NEB : path length is increasing
Tone Kokalj
- [QE-users] Problems with space-group and ibrav
Andrii Shyichuk
- [QE-users] NEB : path length is increasing
Tamas Karpati
- [QE-users] NEB : path length is increasing
Tamas Karpati
- [QE-users] Problems with space-group and ibrav
Javier GONZALEZ PLATAS
- [QE-users] NEB : path length is increasing
Antoine Jay
- [QE-users] NEB : path length is increasing
Omer Mutasim
- [QE-users] How can we decide the spin state of the relaxed structure
samala nagaprasad reddy
- [QE-users] NEB : path length is increasing
Tamas Karpati
- [QE-users] NEB : path length is increasing
Tamas Karpati
- [QE-users] NEB : path length is increasing
Omer Mutasim
- [QE-users] GIPAW chemical shift calculation away from nuclear sites?
Griffin, John
- [QE-users] How can we decide the spin state of the relaxed structure
Andrii Shyichuk
- [QE-users] NEB : path length is increasing
Tamas Karpati
- [QE-users] NEB : path length is increasing
Omer Mutasim
- [QE-users] Inaccurate bandstructure of InSb with PPs from QE PP-library
Ritwik Das
- [QE-users] NEB : path length is increasing
Tamas Karpati
- [QE-users] Calculating U parameter for Ni in LiNiO2 using hp.x
Hongyi Zhao
- [QE-users] Calculating U parameter for Ni in LiNiO2 using hp.x
Hongyi Zhao
- [QE-users] No valence f-electron in Lanthenides Pseudo Potentials
Yogesh Kumar
- [QE-users] Error in DFT+U calculation
Yogesh Kumar
- [QE-users] Calculating U parameter for Ni in LiNiO2 using hp.x
Timrov Iurii
- [QE-users] Error in DFT+U calculation
Timrov Iurii
- [QE-users] How to Calculate Charge Density Difference
Sherifdeen Bolarinwa
- [QE-users] How can we decide the spin state of the relaxed structure
samala nagaprasad reddy
- [QE-users] DFT+U calculation and Hubbard_J0 parameter
Yuvam Bhateja
- [QE-users] How to Calculate Charge Density Difference
Guido Fratesi
- [QE-users] DFT+U calculation and Hubbard_J0 parameter
Matteo Cococcioni
- [QE-users] How to Calculate Charge Density Difference
Paolo Giannozzi
- [QE-users] how to select the perturbed atoms in phonon single q calculation ?
Omer Mutasim
- [QE-users] Calculating U parameter for Ni in LiNiO2 using hp.x
Hongyi Zhao
- [QE-users] users Digest, Vol 159, Issue 28
Marcelo Albuquerque
- [QE-users] how to select the perturbed atoms in phonon single q calculation ?
Omer Mutasim
- [QE-users] how to select the perturbed atoms in phonon single q calculation ?
Omer Mutasim
- [QE-users] Inaccurate bandstructure of InSb with PPs from QE PP-library
Manu Hegde
- [QE-users] how to select the perturbed atoms in phonon single q calculation ?
Tamas Karpati
- [QE-users] information about PGI compiler v20+ download
Sitangshu Bhattacharya
- [QE-users] information about PGI compiler v20+ download
Paolo Giannozzi
- [QE-users] how to select the perturbed atoms in phonon single q calculation ?
Tamas Karpati
- [QE-users] how to select the perturbed atoms in phonon single q calculation ?
Omer Mutasim
- [QE-users] information about PGI compiler v20+ download
Louis Stuber
- [QE-users] How to Calculate Charge Density Difference
Marcelo Albuquerque
- [QE-users] No valence f-electron in Lanthenides Pseudo Potentials
Andrii Shyichuk
- [QE-users] how to select the perturbed atoms in phonon single q calculation ?
Tamas Karpati
- [QE-users] how to select the perturbed atoms in phonon single q calculation ?
Omer Mutasim
- [QE-users] DFT+U calculation and Hubbard_J0 parameter
Yuvam Bhateja
- [QE-users] Thermodynamics with DFT+U
Malte Sachs
- [QE-users] Thermodynamics with DFT+U
Giuseppe Mattioli
- [QE-users] Thermodynamics with DFT+U
Timrov Iurii
- [QE-users] Thermodynamics with DFT+U
Giuseppe Mattioli
- [QE-users] Thermodynamics with DFT+U
Timrov Iurii
- [QE-users] k-point parallelization with localization_thr>0
Zeeshan Ahmad
- [QE-users] how to select the perturbed atoms in phonon single q calculation ?
Omer Mutasim
- [QE-users] "wrong offset" error when using SG15 pseudo
Sergey Lisenkov
- [QE-users] how to select the perturbed atoms in phonon single q calculation ?
Omer Mutasim
- [QE-users] Error in Raman spectroscopy calculation
Soumyadeep
- [QE-users] "wrong offset" error when using SG15 pseudo
Matteo Cococcioni
- [QE-users] "wrong offset" error when using SG15 pseudo
Timrov Iurii
- [QE-users] how to select the perturbed atoms in phonon single q calculation ?
Tamas Karpati
- [QE-users] "wrong offset" error when using SG15 pseudo
Sergey Lisenkov
- [QE-users] Thermodynamics with DFT+U
Malte Sachs
- [QE-users] "wrong offset" error when using SG15 pseudo
Timrov Iurii
- [QE-users] Thermodynamics with DFT+U
Ilya Ryabinkin
- [QE-users] DFT+U calculation and Hubbard_J0 parameter
Timrov Iurii
- [QE-users] how to select the perturbed atoms in phonon single q calculation ?
Omer Mutasim
- [QE-users] "wrong offset" error when using SG15 pseudo
Sergey Lisenkov
- [QE-users] "wrong offset" error when using SG15 pseudo
Timrov Iurii
- [QE-users] Thermodynamics with DFT+U
Timrov Iurii
- [QE-users] DFT+U calculation and Hubbard_J0 parameter
Tamas Karpati
- [QE-users] "wrong offset" error when using SG15 pseudo
Paolo Giannozzi
- [QE-users] "wrong offset" error when using SG15 pseudo
Lorenzo Paulatto
- [QE-users] k-point parallelization with localization_thr>0
Lorenzo Paulatto
- [QE-users] "wrong offset" error when using SG15 pseudo
Sergey Lisenkov
- [QE-users] "wrong offset" error when using SG15 pseudo
Lorenzo Paulatto
- [QE-users] some query about desnity of states
Poonam Kaushik
- [QE-users] k-point parallelization with localization_thr>0
Zeeshan Ahmad
- [QE-users] issue with fixed ibrva vc-relax calculation
rekha sharma
Last message date:
Sat Oct 31 08:04:46 CET 2020
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