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[Pw_forum] supercell
Paolo Giannozzi
[Pw_forum] supercell
ashkan shekaari
[Pw_forum] supercell
Pietro Bonfa'
[Pw_forum] supercell for cpmd
Riping Wang
[Pw_forum] oscillation of P T in cp
Riping Wang
[Pw_forum] error when using dynmat.x
Elie M
[Pw_forum] error when using dynmat.x
Paolo Giannozzi
[Pw_forum] error when using dynmat.x
Lorenzo Paulatto
[Pw_forum] error when using dynmat.x
Elie M
[Pw_forum] vc-relax : total force does not converge (Lorenzo Paulatto)
Jiseok Kim
[Pw_forum] vc-relax : total force does not converge (Lorenzo Paulatto)
Paolo Giannozzi
[Pw_forum] clock shew detected
yqsu
[Pw_forum] clock shew detected
Axel Kohlmeyer
[Pw_forum] clock shew detected
Stefano Baroni
[Pw_forum] Pw_forum Digest, Vol 63, Issue 8
Ramesh Kumar
[Pw_forum] vc-relax : total force does not converge
Jiseok Kim
[Pw_forum] vc-relax : total force does not converge
Jiseok Kim
[Pw_forum] vc-relax : total force does not converge
Lorenzo Paulatto
[Pw_forum] Pw_forum Digest, Vol 63, Issue 7
Onaiwu Kingsley Nosa
[Pw_forum] How to plot bands perfectly with plotband.x?
Yue-Wen Fang
[Pw_forum] How to plot bands perfectly with plotband.x?
Andrea Dal Corso
[Pw_forum] How to plot bands perfectly with plotband.x?
Yue-Wen Fang
[Pw_forum] How to plot bands perfectly with plotband.x?
Andrea Dal Corso
[Pw_forum] How to plot bands perfectly with plotband.x?
Yue-Wen Fang
[Pw_forum] error: wrong order of k-points
Elie M
[Pw_forum] GIPAW problems
Zbigniew Lodziana
[Pw_forum] GIPAW problems
Emine Kucukbenli
[Pw_forum] GIPAW problems
Prasenjit Ghosh
[Pw_forum] GIPAW problems
Zbigniew Lodziana
[Pw_forum] GIPAW problems
Prasenjit Ghosh
[Pw_forum] GIPAW problems
Gabriele Sclauzero
[Pw_forum] GIPAW problems
Prasenjit Ghosh
[Pw_forum] GIPAW problems
Paolo Giannozzi
[Pw_forum] looking for Er pseudopotential
shangy
[Pw_forum] Pseudopotential for Hafnium (Hf)
Romeda Azeen
[Pw_forum] Pseudopotential for Hafnium (Hf)
Axel Kohlmeyer
[Pw_forum] Pseudopotential for Hafnium (Hf)
Nicola Marzari
[Pw_forum] Pseudopotential for Hafnium (Hf)
Romeda Azeen
[Pw_forum] Pseudopotential for Hafnium (Hf)
Romeda Azeen
[Pw_forum] EXX_examples , Molecules and InAs
Saeedeh S Ravandi
[Pw_forum] EXX_examples , Molecules and InAs
Axel Kohlmeyer
[Pw_forum] EXX_examples , Molecules and InAs
Layla Martin-Samos
[Pw_forum] EXX_examples , Molecules and InAs
Saeedeh S Ravandi
[Pw_forum] EXX_examples , Molecules and InAs
Layla Martin-Samos
[Pw_forum] phd felloships announcement
Layla Martin-Samos
[Pw_forum] EXX_examples
Saeedeh S Ravandi
[Pw_forum] EXX_examples
Layla Martin-Samos
[Pw_forum] PAW for vdw-DF2
florence liu
[Pw_forum] PAW for vdw-DF2
Paolo Giannozzi
[Pw_forum] london
bf azi
[Pw_forum] london
Ari P Seitsonen
[Pw_forum] strange results for phonon frequencies.
Elie M
[Pw_forum] strange results for phonon frequencies.
Axel Kohlmeyer
[Pw_forum] strange results for phonon frequencies.
Paolo Giannozzi
[Pw_forum] strange results for phonon frequencies.
Elie M
[Pw_forum] Problem with Pseudopotentials and Input Information
Matthew M Montemore
[Pw_forum] Problem with Pseudopotentials and Input Information
Paolo Giannozzi
[Pw_forum] Problem with Pseudopotentials and Input Information
Lorenzo Paulatto
[Pw_forum] Problem with Pseudopotentials and Input Information
Matthew M Montemore
[Pw_forum] Problem with Pseudopotentials and Input Information
Paolo Giannozzi
[Pw_forum] Problem with Pseudopotentials and Input Information
Matthew M Montemore
[Pw_forum] Possible bug(?) in q2r.x when using FFT routine in ESSL
Jiseok Kim
[Pw_forum] Possible bug(?) in q2r.x when using FFT routine in ESSL
Paolo Giannozzi
[Pw_forum] Possible bug(?) in q2r.x when using FFT routine in ESSL
Jiseok Kim
[Pw_forum] q-points in the phonon calculations
Elie M
[Pw_forum] q-points in the phonon calculations
Paolo Giannozzi
[Pw_forum] InAs Pseudo HSE
Saeedeh S Ravandi
[Pw_forum] parallel processing
somayeh fotohi
[Pw_forum] parallel processing
Paolo Giannozzi
[Pw_forum] Memory usage by pw.x
Guido Fratesi
[Pw_forum] Memory usage by pw.x
Paolo Giannozzi
[Pw_forum] Memory usage by pw.x
Filippo Spiga
[Pw_forum] Memory usage by pw.x
Guido Fratesi
[Pw_forum] Memory usage by pw.x
Paolo Giannozzi
[Pw_forum] Memory usage by pw.x
Lorenzo Paulatto
[Pw_forum] Memory usage by pw.x
Simon Binnie
[Pw_forum] Memory usage by pw.x
Guido Fratesi
[Pw_forum] Memory usage by pw.x
Guido Fratesi
[Pw_forum] Memory usage by pw.x
Axel Kohlmeyer
[Pw_forum] Pw_forum Digest, Vol 62, Issue 50
Saeedeh S Ravandi
[Pw_forum] dapl_post_req resource ERR: dtos pending
Vijay Amirtharaj A
[Pw_forum] dapl_post_req resource ERR: dtos pending
Paolo Giannozzi
[Pw_forum] dapl_post_req resource ERR: dtos pending
Vijay Amirtharaj A
[Pw_forum] dapl_post_req resource ERR: dtos pending
Axel Kohlmeyer
[Pw_forum] Join to group , confirmation #
Saeedeh S Ravandi
[Pw_forum] Join to group , confirmation #
Yue-Wen Fang
[Pw_forum] Question about InAs
Saeedeh S Ravandi
[Pw_forum] Question about InAs
Masoud
[Pw_forum] Generation of H and O GIPAW PP
jérôme cuny
[Pw_forum] Generation of H and O GIPAW PP
Davide Ceresoli
[Pw_forum] Generation of H and O GIPAW PP
jérôme cuny
[Pw_forum] Generation of H and O GIPAW PP
Davide Ceresoli
[Pw_forum] pseudopotential for Vdw
bf azi
[Pw_forum] pseudopotential for Sodium
Ananya mondal
[Pw_forum] pseudopotential for Sodium
Ananya Mondal
[Pw_forum] pseudopotential for Sodium
Yue-Wen Fang
[Pw_forum] pseudopotential for Sodium
Stefano de Gironcoli
[Pw_forum] pseudopotential for Sodium
Ananya Mondal
[Pw_forum] PAW+PBE0
florence liu
[Pw_forum] PAW+PBE0
Layla Martin-Samos
[Pw_forum] STM simulation
Cao TF
[Pw_forum] STM simulation
Guido Fratesi
[Pw_forum] Bug in QE 5.0 with ibrav=0 and using a instead of
Y. L. Li
[Pw_forum] How to modify the input file when testing virtual crystal pseudopotential?
Yue-Wen Fang
[Pw_forum] Negative frequencies at really low threshold convergence
Elie M
[Pw_forum] Negative frequencies at really low threshold convergence
Paolo Giannozzi
[Pw_forum] Negative frequencies at really low threshold convergence
Elie M
[Pw_forum] Negative frequencies at really low threshold convergence
Stefano Baroni
[Pw_forum] differences in vdW_kernel_table
Eduardo Ariel Menendez Proupin
[Pw_forum] differences in vdW_kernel_table
Paolo Giannozzi
[Pw_forum] How I can simulate charged slab with surface charge by QE
yavar pour azar
[Pw_forum] How I can simulate charged slab with surface charge by QE
Paolo Giannozzi
[Pw_forum] How I can simulate charged slab with surface charge by QE
Alexey Akimov
[Pw_forum] How I can simulate charged slab with surface charge by QE
yavar pour azar
[Pw_forum] restart flag for nmr calculation using gipaw
Prasenjit Ghosh
[Pw_forum] restart flag for nmr calculation using gipaw
Davide Ceresoli
[Pw_forum] restart flag for nmr calculation using gipaw
Prasenjit Ghosh
[Pw_forum] path for automatic download of plugins
Layla Martin-Samos
[Pw_forum] Bug in QE 5.0 with ibrav=0 and using a instead of celldm
Giovanni Pizzi
[Pw_forum] Bug in QE 5.0 with ibrav=0 and using a instead of celldm
Paolo Giannozzi
[Pw_forum] Bug in QE 5.0 with ibrav=0 and using a instead of celldm
Giovanni Pizzi
[Pw_forum] Bug in QE 5.0 with ibrav=0 and using a instead of celldm
Paolo Giannozzi
[Pw_forum] '*****' in output files
kangb...@lycos.co.kr
[Pw_forum] Dipole correction of PW
Fenggong Wang
[Pw_forum] Dipole correction of PW
Paolo Giannozzi
[Pw_forum] Dipole correction of PW
Fenggong Wang
[Pw_forum] question about spinors
Alexey Akimov
[Pw_forum] question about spinors
Paolo Giannozzi
[Pw_forum] question about spinors
Alexey Akimov
[Pw_forum] question about spinors
Gabriele Sclauzero
[Pw_forum] question about spinors
Alexey Akimov
[Pw_forum] question about spinors
Gabriele Sclauzero
[Pw_forum] question about spinors
Alexey Akimov
[Pw_forum] kohen -sham orbitals ortogonality and ortonormality
naz...@iasbs.ac.ir
[Pw_forum] kohen -sham orbitals ortogonality and ortonormality
Alexey Akimov
[Pw_forum] kohn -sham orbitals ortogonality and ortonormality
naz...@iasbs.ac.ir
[Pw_forum] kohn -sham orbitals ortogonality and ortonormality
Paolo Giannozzi
[Pw_forum] kohn -sham orbitals ortogonality and ortonormality
naz...@iasbs.ac.ir
[Pw_forum] kohn -sham orbitals ortogonality and ortonormality
Alexey Akimov
[Pw_forum] kohn -sham orbitals ortogonality and ortonormality
naz...@iasbs.ac.ir
[Pw_forum] kohn -sham orbitals ortogonality and ortonormality
Alexey Akimov
[Pw_forum] kohn -sham orbitals ortogonality and ortonormality
naz...@iasbs.ac.ir
[Pw_forum] kohn -sham orbitals ortogonality and ortonormality
Alexey Akimov
[Pw_forum] QE 5.0 Release Confusion
W2AGZ
[Pw_forum] QE 5.0 Release Confusion
DENIS MAGERO
[Pw_forum] QE 5.0 Release Confusion
Filippo Spiga
[Pw_forum] [Q-e-developers] QE 5.0 Release Confusion
Layla Martin-Samos
[Pw_forum] QE 5.0 Release Confusion
Paolo Giannozzi
[Pw_forum] confusion in ev.x
karan deep
[Pw_forum] confusion in ev.x
Paolo Giannozzi
[Pw_forum] confusion in ev.x
karan deep
[Pw_forum] GPU-accelerated PWscf Test Drive (provided by NVIDIA and partners) opens today
Filippo Spiga
[Pw_forum] GPU-accelerated PWscf Test Drive (provided by NVIDIA and partners) opens today
Filippo Spiga
[Pw_forum] About pseudopotential
anne etindele
[Pw_forum] About pseudopotential
Axel Kohlmeyer
[Pw_forum] The files for lambda.x are missing!
Peng Tao
[Pw_forum] Input file for Cd6Se6
Ruibin Liu
[Pw_forum] Input file for Cd6Se6
Paolo Giannozzi
[Pw_forum] Input file for Cd6Se6
Ruibin Liu
[Pw_forum] Input file for Cd6Se6
Darshana Wickramaratne
[Pw_forum] 110-direction Vs 110-point calculation
Satyananda Chab
[Pw_forum] 110-direction Vs 110-point calculation
GAO Zhe
[Pw_forum] set_irr.f90 in v5.0
Jiseok Kim
[Pw_forum] set_irr.f90 in v5.0
Andrea Dal Corso
[Pw_forum] Problem with parallel phonon calculation using image method
David Miller
[Pw_forum] Problem with parallel phonon calculation using image method
William Parker
[Pw_forum] Problem with parallel phonon calculation using image method
David Miller
[Pw_forum] Van der Walls interaction
manoj narayanan
[Pw_forum] Van der Walls interaction
Masoud
[Pw_forum] Van der Walls interaction
manoj narayanan
[Pw_forum] Van der Walls interaction
Stefano de Gironcoli
[Pw_forum] Van der Walls interaction
Masoud
[Pw_forum] piezoelectric constant
Alex Mariani
[Pw_forum] piezoelectric constant
GAO Zhe
[Pw_forum] piezoelectric constant
Stefano Baroni
[Pw_forum] phonon calculations do not converge
Iyad AL-QASIR
[Pw_forum] phonon calculations do not converge
William Parker
[Pw_forum] phonon calculations do not converge
Iyad AL-QASIR
[Pw_forum] phonon calculations do not converge
Iyad AL-QASIR
[Pw_forum] phonon calculations do not converge
Matthijs Mentink
[Pw_forum] phonon calculations do not converge
Iyad AL-QASIR
[Pw_forum] zns/zno surface
Amin Torabi
[Pw_forum] zns/zno surface
Alexey Akimov
[Pw_forum] zns/zno surface
Amin Torabi
[Pw_forum] zns/zno surface
Alexey Akimov
[Pw_forum] LSDA+U calculation on band gap
Peng Chen
[Pw_forum] LSDA+U calculation on band gap
Burak Himmetoglu
[Pw_forum] LSDA+U calculation on band gap
Peng Chen
[Pw_forum] LSDA+U calculation on band gap
Burak Himmetoglu
[Pw_forum] reading_namelist error #19
Elie M
[Pw_forum] reading_namelist error #19
Nicola Marzari
[Pw_forum] reading_namelist error #19
Elie M
[Pw_forum] reading_namelist error #19
Masoud
[Pw_forum] QE plugins system
Dmitry Korotin
[Pw_forum] QE plugins system
Layla Martin-Samos
[Pw_forum] QE plugins system
Dmitry Korotin
[Pw_forum] QE plugins system
Layla Martin-Samos
[Pw_forum] QE plugins system
Dmitry Korotin
[Pw_forum] QE plugins system
Layla Martin-Samos
[Pw_forum] non-existed variables
Ruibin Liu
Earlier messages
Later messages