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[Pw_forum] pseudopotential (Hanghui Chen)
Matteo Calandra
[Pw_forum] pseudopotential
Hanghui Chen
[Pw_forum] pseudopotential
bf azi
[Pw_forum] pseudopotential
Axel Kohlmeyer
[Pw_forum] pseudopotential
Emine Kucukbenli
[Pw_forum] pseudopotential
Paolo Giannozzi
[Pw_forum] pseudopotential
bf azi
[Pw_forum] pseudopotential
Stefano de Gironcoli
[Pw_forum] pseudopotential
bf azi
[Pw_forum] pseudopotential
Axel Kohlmeyer
[Pw_forum] pseudopotential
Mohua Bhattacharya
[Pw_forum] pseudopotential
Paolo Giannozzi
[Pw_forum] pseudopotential
Stefano Baroni
[Pw_forum] pseudopotential
Mohua Bhattacharya
[Pw_forum] Pseudopotential
Manoj Narayanan
[Pw_forum] pseudopotential
raha khalili
[Pw_forum] pseudopotential
raha khalili
[Pw_forum] pseudopotential
Lorenzo Paulatto
[Pw_forum] pseudopotential
raha khalili
[Pw_forum] pseudopotential
Iyad AL-QASIR
[Pw_forum] dvscf for dielectric response
David Strubbe
[Pw_forum] dvscf for dielectric response
Paolo Giannozzi
[Pw_forum] PWgui Locate Error
W2AGZ
[Pw_forum] PWgui Locate Error
Tone Kokalj
[Pw_forum] DC & BEC
Suza W
[Pw_forum] DC & BEC
Chengyang Li
[Pw_forum] DC & BEC
Paolo Giannozzi
[Pw_forum] FFLAGS in make.sys
Mahmoud Payami
[Pw_forum] FFLAGS in make.sys
Paolo Giannozzi
[Pw_forum] DC & BEC
Suza W
[Pw_forum] DC & BEC
Nicola Marzari
[Pw_forum] DC & BEC
Suza W
[Pw_forum] DC & BEC
Axel Kohlmeyer
[Pw_forum] site-projected bandstructre
Nicki Frank Hinsche
[Pw_forum] site-projected bandstructre
Ari P Seitsonen
[Pw_forum] change in Fermi Energy with ecutoff, Vacuum and degauss
Eduardo Ariel Menendez Proupin
[Pw_forum] change in Fermi Energy with ecutoff, Vacuum and degauss
Dipak Thakur
[Pw_forum] change in Fermi Energy with ecutoff, Vacuum and degauss
Paolo Giannozzi
[Pw_forum] dynmat.x - segmentation fault error
"Kacper Drużbicki"
[Pw_forum] dynmat.x - segmentation fault error
Paolo Giannozzi
[Pw_forum] dynmat.x - segmentation fault error
Paolo Giannozzi
[Pw_forum] dynmat.x - segmentation fault error
"Kacper Drużbicki"
[Pw_forum] PlotPhon Questions...Again
W2AGZ
[Pw_forum] PlotPhon Questions...Again
Paolo Giannozzi
[Pw_forum] how to make a input file for the vdW_kernel_table
Tian yongchao
[Pw_forum] Bands of Doped rutile(TiO2)
Winfred Mulwa
[Pw_forum] input structure for ibrav=9
Amin Torabi
[Pw_forum] input structure for ibrav=9
Paolo Giannozzi
[Pw_forum] input structure for ibrav=9
Amin Torabi
[Pw_forum] input structure for ibrav=9
Paolo Giannozzi
[Pw_forum] input structure for ibrav=9
Éric Germaneau
[Pw_forum] input structure for ibrav=9
Paolo Giannozzi
[Pw_forum] Query on "e-ph interaction coefficients
Ajit Vallabhaneni
[Pw_forum] Query on "e-ph interaction coefficients
Paolo Giannozzi
[Pw_forum] Query on "e-ph interaction coefficients
Ajit Vallabhaneni
[Pw_forum] Query on "e-ph interaction coefficients
Stefano Baroni
[Pw_forum] Symmetry rotational matrix
Payam Norouzzadeh
[Pw_forum] Symmetry rotational matrix
Paolo Giannozzi
[Pw_forum] Symmetry rotational matrix
Stefano Baroni
[Pw_forum] Symmetry rotational matrix
Payam Norouzzadeh
[Pw_forum] does anyone has a TM PBE pseudopotential of Se that can work at 300GPa?
Wei Zhou
[Pw_forum] does anyone has a TM PBE pseudopotential of Se that can work at 300GPa?
Paolo Giannozzi
[Pw_forum] does anyone has a TM PBE pseudopotential of Se that can work at 300GPa?
Wei Zhou
[Pw_forum] hybrid xc implemented in QE?
Jun Liu
[Pw_forum] hybrid xc implemented in QE?
giuseppe.matti...@mlib.ism.cnr.it
[Pw_forum] hybrid xc implemented in QE?
Axel Kohlmeyer
[Pw_forum] PH_DFT+U_Occupation Matrix
IYAD AL-QASIR
[Pw_forum] PH_DFT+U_Occupation Matrix
Paolo Giannozzi
[Pw_forum] PH_DFT+U_Occupation Matrix
IYAD AL-QASIR
[Pw_forum] PH_DFT+U_Occupation Matrix
IYAD AL-QASIR
[Pw_forum] PH_DFT+U_Occupation Matrix
Paolo Giannozzi
[Pw_forum] Does total force include dispersion force?
WF
[Pw_forum] Does total force include dispersion force?
Gabriele Sclauzero
[Pw_forum] DMFT + LDA
Hande Ustunel
[Pw_forum] DMFT + LDA
Dmitry Korotin
[Pw_forum] DMFT + LDA
Hande Ustunel
[Pw_forum] Bands
Winfred Mulwa
[Pw_forum] Bands
Lars Matthes
[Pw_forum] Bands
Lars Matthes
[Pw_forum] Bands
Lars Matthes
[Pw_forum] hi
mariam malmir
[Pw_forum] hi
Gabriele Sclauzero
[Pw_forum] hi
ashkan shekaari
[Pw_forum] hi
Rohollah Zare
[Pw_forum] hi
Lorenzo Paulatto
[Pw_forum] vc-relax for a Magnetic atom
Ali ALLAM
[Pw_forum] vc-relax for a Magnetic atom
Sanjeev Gupta
[Pw_forum] vc-relax for a Magnetic atom
Huiqun Zhou
[Pw_forum] Converting pseudopotentials from CPMD
Merlin Meheut
[Pw_forum] Converting pseudopotentials from CPMD
Axel Kohlmeyer
[Pw_forum] Converting pseudopotentials from CPMD
Merlin Meheut
[Pw_forum] Converting pseudopotentials from CPMD
Axel Kohlmeyer
[Pw_forum] Converting pseudopotentials from CPMD
Merlin Meheut
[Pw_forum] Converting pseudopotentials from CPMD
Axel Kohlmeyer
[Pw_forum] Converting pseudopotentials from CPMD
Paolo Giannozzi
[Pw_forum] Fixing magnetization in a given direction for "vc-relax" or relax calculations
mohnish pandey
[Pw_forum] G-vector in scf calculation
Tram Bui
[Pw_forum] G-vector in scf calculation
Gabriele Sclauzero
[Pw_forum] Phonon calculations
henry odhiambo
[Pw_forum] Phonon calculations
Lorenzo Paulatto
[Pw_forum] Phonon calculations
Paolo Giannozzi
[Pw_forum] Phonon calculations
IYAD AL-QASIR
[Pw_forum] Phonon calculations
Seyed Mojtaba Rezaei Sani
[Pw_forum] Phonon calculations
Elias Albert
[Pw_forum] Phonon calculations
Lorenzo Paulatto
[Pw_forum] Call for contributions
Layla Martin-Samos
[Pw_forum] unallocated variable
David Strubbe
[Pw_forum] unallocated variable
Paolo Giannozzi
[Pw_forum] Problem With Total-Energy Convergence vs. ecutwfc
Vic Bermudez
[Pw_forum] Problem With Total-Energy Convergence vs. ecutwfc
Nicola Marzari
[Pw_forum] Problem With Total-Energy Convergence vs. ecutwfc
Eduardo Ariel Menendez Proupin
[Pw_forum] SCF calculations do not converge
IYAD AL-QASIR
[Pw_forum] SCF calculations do not converge
mohnish pandey
[Pw_forum] ploting difference in charge density
vicky singh
[Pw_forum] Segmentation Faults - Running QE-4.3.2 under Kubutu 11.10 within Latest Oracle Virtualbox
W2AGZ
[Pw_forum] Segmentation Faults - Running QE-4.3.2 under Kubutu 11.10 within Latest Oracle Virtualbox
Paolo Giannozzi
[Pw_forum] Segmentation Faults - Running QE-4.3.2 under Kubutu 11.10 within Latest Oracle Virtualbox
Axel Kohlmeyer
[Pw_forum] PlotPhon Examples
W2AGZ
[Pw_forum] PlotPhon Examples
GAO Zhe
[Pw_forum] PlotPhon Examples
Paolo Giannozzi
[Pw_forum] paw pp for Boron?
Amin Torabi
[Pw_forum] paw pp for Boron?
Amin Torabi
[Pw_forum] Query on phonon dispersion
Ajit Vallabhaneni
[Pw_forum] Query on phonon dispersion
Lorenzo Paulatto
[Pw_forum] Query on phonon dispersion
Ajit Vallabhaneni
[Pw_forum] Query on phonon dispersion
Paolo Giannozzi
[Pw_forum] crash in pslibrary.0.2.2
David Strubbe
[Pw_forum] crash in pslibrary.0.2.2
Nicola Marzari
[Pw_forum] crash in pslibrary.0.2.2
David Strubbe
[Pw_forum] US pseudopotential generation
Tram Bui
[Pw_forum] error in berry phase calculation
swapnil chandratre
[Pw_forum] error in berry phase calculation
Paolo Giannozzi
[Pw_forum] error in berry phase calculation
swapnil chandratre
[Pw_forum] gipaw parallel run is too slow
Ren PJ
[Pw_forum] gipaw parallel run is too slow
Lorenzo Paulatto
[Pw_forum] gipaw parallel run is too slow
Ren PJ
[Pw_forum] gipaw parallel run is too slow
Layla Martin-Samos
[Pw_forum] units in QE (thread renamed from k point value)
Sonu Kumar
[Pw_forum] Re :question about input files in pseudopotential library
Sonu Kumar
[Pw_forum] n_diag
Vivek Ranjan
[Pw_forum] n_diag
Paolo Giannozzi
[Pw_forum] question about input files in pseudopotential library
Jia Chen
[Pw_forum] question about input files in pseudopotential library
Paolo Giannozzi
[Pw_forum] question about input files in pseudopotential library
Jia Chen
[Pw_forum] question about input files in pseudopotential library
Lorenzo Paulatto
[Pw_forum] question about input files in pseudopotential library
Jia Chen
[Pw_forum] k point value
Padmaja Patnaik
[Pw_forum] k point value
mohnish pandey
[Pw_forum] k point value
Paolo Giannozzi
[Pw_forum] Defining spin states in PWscf
hariom jani
[Pw_forum] relax calculation for some atoms in the structure
Tram Bui
[Pw_forum] relax calculation for some atoms in the structure
KangYun Song
[Pw_forum] 'wf_collect' question
Lai Jiang
[Pw_forum] 'wf_collect' question
Paolo Giannozzi
[Pw_forum] atomic position of Li15Si4
Omileke Peter
[Pw_forum] help on atomic position
bamidele ibrahim
[Pw_forum] help on atomic position
Arles V. Gil Rebaza
[Pw_forum] Obtaining SCF convergence for Relax Calculation
Michael Mrozik
[Pw_forum] Obtaining SCF convergence for Relax Calculation
Paolo Giannozzi
[Pw_forum] parallel computing for phonon calculations
Elie M
[Pw_forum] parallel computing for phonon calculations
Paolo Giannozzi
[Pw_forum] calculation of lattice parameter and angle of rhombohedral structure
yedu kondalu
[Pw_forum] calculation of lattice parameter and angle of rhombohedral structure
GAO Zhe
[Pw_forum] calculation of lattice parameter and angle of rhombohedral structure
Huiqun Zhou
[Pw_forum] calculation of lattice parameter and angle of rhombohedral structure
Gabriele Sclauzero
[Pw_forum] calculation of lattice parameter and angle of rhombohedral structure
GAO Zhe
[Pw_forum] calculation of lattice parameter and angle of rhombohedral structure
Éric Germaneau
[Pw_forum] vc-relax in QE 4.3.2
Hanghui Chen
[Pw_forum] vc-relax in QE 4.3.2
Paolo Giannozzi
[Pw_forum] Davidson diagonalization with overlap
Cao TF
[Pw_forum] Davidson diagonalization with overlap
Giuseppe Mattioli
[Pw_forum] Davidson diagonalization with overlap
Qianqian Wang
[Pw_forum] Davidson diagonalization with overlap
Hadi Arefi
[Pw_forum] problem about pp.x: namelist plot not found or invalid
GAO Zhe
[Pw_forum] problem about pp.x: namelist plot not found or invalid
Guido Fratesi
[Pw_forum] problem about pp.x: namelist plot not found or invalid
GAO Zhe
[Pw_forum] problem about pp.x: namelist plot not found or invalid
Guido Fratesi
[Pw_forum] problem about pp.x: namelist plot not found or invalid
GAO Zhe
[Pw_forum] problem about pp.x: namelist plot not found or invalid
GAO Zhe
[Pw_forum] Phonon life time calculation
Tribhuwan Pandey
[Pw_forum] phonon life time calculation
Tribhuwan Pandey
[Pw_forum] phonon life time calculation
Paolo Giannozzi
[Pw_forum] Davidson diagonalization with overlap
Cao TF
[Pw_forum] Davidson diagonalization with overlap
Giuseppe Mattioli
[Pw_forum] Compilation of QE 4.3.2 on (grid) cluster with OpenMPI / OpenMP
Cristian Degli Esposti Boschi
[Pw_forum] Compilation of QE 4.3.2 on (grid) cluster with OpenMPI / OpenMP
Axel Kohlmeyer
[Pw_forum] Compilation of QE 4.3.2 on (grid) cluster with OpenMPI / OpenMP
Paolo Giannozzi
[Pw_forum] What kind of calculation needs wavefunction files created by pw.x ?
WF
[Pw_forum] What kind of calculation needs wavefunction files created by pw.x ?
Gabriele Sclauzero
[Pw_forum] What kind of calculation needs wavefunction files created by pw.x ?
Gabriele Sclauzero
[Pw_forum] What kind of calculation needs wavefunction files created by pw.x ?
WF
[Pw_forum] jellium background
he...@fh.huji.ac.il
[Pw_forum] jellium background
Paolo Giannozzi
[Pw_forum] jellium background
Paolo Giannozzi
[Pw_forum] jellium background
Nicola Marzari
[Pw_forum] Pw_forum Digest, Vol 53, Issue 23
Sanjay D. Gupta
[Pw_forum] Problem with DFT + U calculations
Lai Jiang
[Pw_forum] Problem with DFT + U calculations
Paolo Giannozzi
[Pw_forum] image parallelization for phonon calculations
IYAD AL-QASIR
[Pw_forum] image parallelization for phonon calculations
Paolo Giannozzi
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