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[Pw_forum] segmentation fault in local.f90 line 228 PWCOND version 4.3.2
Xiaoguang Zhang
[Pw_forum] segmentation fault in local.f90 line 228 PWCOND version 4.3.2
Paolo Giannozzi
[Pw_forum] segmentation fault in local.f90 line 228 PWCOND version 4.3.2
Xiaoguang Zhang
[Pw_forum] need help on calculation...
Nguyen Doan Sau
[Pw_forum] need help on calculation...
Axel Kohlmeyer
[Pw_forum] GGA+U: Sensitivity of occupation matrix
Chan-Woo Lee
[Pw_forum] GGA+U: Sensitivity of occupation matrix
Stefano Fabris
[Pw_forum] volume optimization
berber mo
[Pw_forum] volume optimization
mohnish pandey
[Pw_forum] volume optimization
Paolo Giannozzi
[Pw_forum] how to calculate the total energy under load ?
chengyu yang
[Pw_forum] how to calculate the total energy under load ?
Paolo Giannozzi
[Pw_forum] Some questions on Electron Phonon Calculations.
Vikas Varshney
[Pw_forum] Some questions on Electron Phonon Calculations.
Paolo Giannozzi
[Pw_forum] compile GIPAW on aix
Giuseppe Mattioli
[Pw_forum] compile GIPAW on aix
Giuseppe Mattioli
[Pw_forum] compile GIPAW on aix
Axel Kohlmeyer
[Pw_forum] compile GIPAW on aix
Ari P Seitsonen
[Pw_forum] compile GIPAW on aix
Giuseppe Mattioli
[Pw_forum] Excited State Gradients in TDDFT
yukihiro_ok...@fujifilm.co.jp
[Pw_forum] Excited State Gradients in TDDFT
Stefano Baroni
[Pw_forum] Excited State Gradients in TDDFT
yukihiro_ok...@fujifilm.co.jp
[Pw_forum] Excited State Gradients in TDDFT
dario rocca
[Pw_forum] error when restarting ph.x in the parallel computing mode
Elie M
[Pw_forum] error when restarting ph.x in the parallel computing mode
Paolo Giannozzi
[Pw_forum] problem to convert Cv (R) to Cv(in J/mol.K)
bramha pandey
[Pw_forum] problem to convert Cv (R) to Cv(in J/mol.K)
bramha pandey
[Pw_forum] problem to convert Cv (R) to Cv(in J/mol.K)
Stefano de Gironcoli
[Pw_forum] problem to convert Cv (R) to Cv(in J/mol.K)
bramha pandey
[Pw_forum] Regarding Vdw interactions
Kondaiah Samudrala
[Pw_forum] Ultrasoft Pseudopotential of Eu
Tram Bui
[Pw_forum] NaN values for Tc calculations
Bahadir Altintas
[Pw_forum] volume optimization
berber mo
[Pw_forum] matdyn input explanation
Bahadir Altintas
[Pw_forum] matdyn input explanation
Paolo Giannozzi
[Pw_forum] Negative stress(vacuum) in vc-relax's last scf
Bahadir Altintas
[Pw_forum] Negative stress(vacuum) in vc-relax's last scf
Paolo Giannozzi
[Pw_forum] BEC from DFPT
Сергей Николаев
[Pw_forum] BEC from DFPT
Paolo Giannozzi
[Pw_forum] BEC from DFPT
程迎春
[Pw_forum] BEC from DFPT
Paolo Giannozzi
[Pw_forum] multiple-manifold DFT+U on a single atom
Deyu Lu
[Pw_forum] multiple-manifold DFT+U on a single atom
Burak Himmetoglu
[Pw_forum] phonon life time
Tribhuwan Pandey
[Pw_forum] phonon life time
Tribhuwan Pandey
[Pw_forum] exit status = 129
Asei Aefla
[Pw_forum] exit status = 129
Paolo Giannozzi
[Pw_forum] query on e-ph tutorial
Ajit Vallabhaneni
[Pw_forum] query on e-ph tutorial
Paolo Giannozzi
[Pw_forum] query on e-ph tutorial
Ajit Vallabhaneni
[Pw_forum] query on e-ph tutorial
GAO Zhe
[Pw_forum] R: Re: (no subject)
giacsp...@libero.it
[Pw_forum] Requesting for structural details
Kondaiah Samudrala
[Pw_forum] Requesting for structural details
Huiqun Zhou
[Pw_forum] help regarding fqha.x
bramha pandey
[Pw_forum] help regarding fqha.x
GAO Zhe
[Pw_forum] hubbard potential
Mojtaba Rahimi
[Pw_forum] hubbard potential
Matteo Cococcioni
[Pw_forum] Mysterious Matdyn Messages - More
W2AGZ
[Pw_forum] Mysterious Matdyn Messages - More
Paolo Giannozzi
[Pw_forum] Re : Pw_forum Digest, Vol 55, Issue 46
debbichi mourad
[Pw_forum] Mysterious Matdyn Message(s)
W2AGZ
[Pw_forum] Mysterious Matdyn Message(s)
Axel Kohlmeyer
[Pw_forum] Mysterious Matdyn Message(s)
Paolo Giannozzi
[Pw_forum] problen to run q2r.x code.
bramha pandey
[Pw_forum] problen to run q2r.x code.
GAO Zhe
[Pw_forum] problen to run q2r.x code.
Paolo Giannozzi
[Pw_forum] Input file of graphene
Rahen Badsha
[Pw_forum] errors during calculation of thermal properties of ZnO using QHA
zafar rasheed
[Pw_forum] doubt on TDDFPT output
Eduardo Ariel Menendez Proupin
[Pw_forum] doubt on TDDFPT output
Simon Binnie
[Pw_forum] from read_namelists : error # 88
giacsp...@libero.it
[Pw_forum] Fwd: xsf to pwscf input
Gabriele Sclauzero
[Pw_forum] Fwd: xsf to pwscf input
Tone Kokalj
[Pw_forum] xsf to pwscf input
Payam Norouzzadeh
[Pw_forum] xsf to pwscf input
Giovani Faccin
[Pw_forum] xsf to pwscf input
Tone Kokalj
[Pw_forum] xsf to pwscf input
Peter Dunne
[Pw_forum] Thanks a lot to QE forum for immense help in my first paper
mohnish pandey
[Pw_forum] error in relaxation
bhabya sahoo
[Pw_forum] Fwd: error in relaxation
bhabya sahoo
[Pw_forum] Errors during calculation of thermal properties using QHA
zafar rasheed
[Pw_forum] different ways to calculate charges on atoms
Hanghui Chen
[Pw_forum] unit-cell volume for bcc crystals
Payam Norouzzadeh
[Pw_forum] Quantum ESPRESSO developers' meeting
Stefano Baroni
[Pw_forum] (Niharika Joshi)
Matteo Calandra
[Pw_forum] Occupied states in XAS
Niharika Joshi
[Pw_forum] Electron phonon coupling coefficient calculations
Seungha Shin
[Pw_forum] Help with atomic relaxation (Issue with convergence)
giuseppe.matti...@mlib.ism.cnr.it
[Pw_forum] Help with atomic relaxation (Issue with convergence)
Paolo Giannozzi
[Pw_forum] Help with atomic relaxation (Issue with convergence)
Vikas Varshney
[Pw_forum] Help with atomic relaxation (Issue with convergence)
Guido Fratesi
[Pw_forum] Help with atomic relaxation (Issue with convergence)
Vikas Varshney
[Pw_forum] Help with atomic relaxation (Issue with convergence)
Vikas Varshney
[Pw_forum] Regarding raman spectra
Kondaiah Samudrala
[Pw_forum] Regarding raman spectra
Eduardo Ariel Menendez Proupin
[Pw_forum] quantum espresso on SLURM
Elie M
[Pw_forum] quantum espresso on SLURM
Paolo Giannozzi
[Pw_forum] optimisation
bhabya sahoo
[Pw_forum] optimisation
Chan-Woo Lee
[Pw_forum] optimisation
bhabya sahoo
[Pw_forum] optimisation
Paolo Giannozzi
[Pw_forum] optimisation
bhabya sahoo
[Pw_forum] Transformation of a tensor from the crystal basis to the cartesian basis and viceversa
Iurii TIMROV
[Pw_forum] Transformation of a tensor from the crystal basis to the cartesian basis and viceversa
Paolo Giannozzi
[Pw_forum] PWgui
sampath kumar
[Pw_forum] PWgui
Jean-Roch Huntzinger
[Pw_forum] PWgui
Tone Kokalj
[Pw_forum] electron-phonon calculation with spin-polarization
IYAD AL-QASIR
[Pw_forum] potential units
Antonio Aliano
[Pw_forum] potential units
Antonio Aliano
[Pw_forum] potential units
Paolo Giannozzi
[Pw_forum] potential units
Antonio Aliano
[Pw_forum] minimizing traffic on the pw_forum list
Nicola Marzari
[Pw_forum] minimizing traffic on the pw_forum list
Paolo Giannozzi
[Pw_forum] Dynamic polarizability of C60
anne etindele
[Pw_forum] Dynamic polarizability of C60
Axel Kohlmeyer
[Pw_forum] Dynamic polarizability of C60
Eduardo Ariel Menendez Proupin
[Pw_forum] Dynamic polarizability of C60
anne etindele
[Pw_forum] Dynamic polarizability of C60
Eduardo Ariel Menendez Proupin
[Pw_forum] vibrational energy
bhabya sahoo
[Pw_forum] vibrational energy
bhabya sahoo
[Pw_forum] Fwd: vibrational energy
bhabya sahoo
[Pw_forum] NEB in QE 4.3: NaN values of some of the initially generated images
Torstein Fjermestad
[Pw_forum] NEB in QE 4.3: NaN values of some of the initially generated images
Layla Martin-Samos
[Pw_forum] NEB in QE 4.3: NaN values of some of the initially generated images
Torstein Fjermestad
[Pw_forum] NEB in QE 4.3: NaN values of some of the initially generated images
Paolo Giannozzi
[Pw_forum] NEB in QE 4.3: NaN values of some of the initially generated images
Torstein Fjermestad
[Pw_forum] NEB in QE 4.3: NaN values of some of the initially generated images
Paolo Giannozzi
[Pw_forum] distinguish between the isotopes of an element
Mahdi Faghih nasiri
[Pw_forum] distinguish between the isotopes of an element
mohnish pandey
[Pw_forum] distinguish between the isotopes of an element
Paolo Giannozzi
[Pw_forum] distinguish between the isotopes of an element
Stefano de Gironcoli
[Pw_forum] distinguish between the isotopes of an element
mohnish pandey
[Pw_forum] distinguish between the isotopes of an element
Stefano Baroni
[Pw_forum] query on fermi energy
Ajit Vallabhaneni
[Pw_forum] query on fermi energy
Peter Wang
[Pw_forum] query on fermi energy
Ajit Vallabhaneni
[Pw_forum] query on fermi energy
Peter Wang
[Pw_forum] query on fermi energy
Nicola Marzari
[Pw_forum] query on fermi energy
Ajit Vallabhaneni
[Pw_forum] query on fermi energy
Paolo Giannozzi
[Pw_forum] query on fermi energy
Ajit Vallabhaneni
[Pw_forum] query on fermi energy
Paolo Giannozzi
[Pw_forum] query on fermi energy
Ajit Vallabhaneni
[Pw_forum] query on fermi energy
Paolo Giannozzi
[Pw_forum] ph.x, q2r.x and low symmetries
W2AGZ
[Pw_forum] ph.x, q2r.x and low symmetries
Paolo Giannozzi
[Pw_forum] ph.x, q2r.x and low symmetries
W2AGZ
[Pw_forum] ph.x, q2r.x and low symmetries
W2AGZ
[Pw_forum] Ewald and Coulomb
jiayudai
[Pw_forum] Ewald and Coulomb
Yunpeng Wang
[Pw_forum] Ewald and Coulomb
jiayudai
[Pw_forum] Ewald and Coulomb
Peter Wang
[Pw_forum] Ewald and Coulomb
Axel Kohlmeyer
[Pw_forum] Ewald and Coulomb
jiayudai
[Pw_forum] Ewald and Coulomb
Axel Kohlmeyer
[Pw_forum] atom positions in terms of alat
Payam Norouzzadeh
[Pw_forum] atom positions in terms of alat
Peter Wang
[Pw_forum] RPA+EXX in PWscf
Peter Wang
[Pw_forum] RPA+EXX in PWscf
Axel Kohlmeyer
[Pw_forum] RPA+EXX in PWscf
Peter Wang
[Pw_forum] RPA+EXX in PWscf
Abdeslam Houari
[Pw_forum] RPA+EXX in PWscf
Stefano de Gironcoli
[Pw_forum] RPA+EXX in PWscf
Paolo Giannozzi
[Pw_forum] Fwd: postdoc position at Nova Gorica
Layla Martin-Samos
[Pw_forum] pressure
bhabya sahoo
[Pw_forum] pressure
Lorenzo Paulatto
[Pw_forum] pressure
bhabya sahoo
[Pw_forum] pressure
Lorenzo Paulatto
[Pw_forum] pressure
Axel Kohlmeyer
[Pw_forum] SCF Convergence problem in all-electron calculation of ld1.x
WF
[Pw_forum] SCF Convergence problem in all-electron calculation of ld1.x
Paolo Giannozzi
[Pw_forum] Which subroutine is related to the atomic displacement in DFPT
Caloma Trumica
[Pw_forum] Which subroutine is related to the atomic displacement in DFPT
Axel Kohlmeyer
[Pw_forum] Which subroutine is related to the atomic displacement in DFPT
Caloma Trumica
[Pw_forum] Which subroutine is related to the atomic displacement in DFPT
Lorenzo Paulatto
[Pw_forum] Which subroutine is related to the atomic displacement in DFPT
Caloma Trumica
[Pw_forum] Which subroutine is related to the atomic displacement in DFPT
Paolo Giannozzi
[Pw_forum] Which subroutine is related to the atomic displacement in DFPT
GAO Zhe
[Pw_forum] help
leila messad
[Pw_forum] help
dd ddd
[Pw_forum] help
Stefano Baroni
[Pw_forum] help
Nyaruanda Calvince
[Pw_forum] help
Giovanni Cantele
[Pw_forum] help
GAO Zhe
[Pw_forum] help
samad zare
[Pw_forum] help
Giuseppe Mattioli
[Pw_forum] help
Yun Wang
[Pw_forum] Help
Shahid Sattar
[Pw_forum] Help
Pascal BOULET
[Pw_forum] help
Anik Shrivastava
[Pw_forum] help
deepika tripathi
[Pw_forum] help
Anik Shrivastava
[Pw_forum] help
Ari P Seitsonen
[Pw_forum] RPA by PWscf
Yunpeng Wang
[Pw_forum] sn calculation
bhabya sahoo
[Pw_forum] Fwd: sn calculation
bhabya sahoo
[Pw_forum] RPA by PWscf
Yunpeng Wang
[Pw_forum] charge-density.dat file missing after SCF calculations
Kiss, Ioan
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