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[Pw_forum] Iron & Starting Magnetization
Paolo Giannozzi
[Pw_forum] Iron & Starting Magnetization
Ben Palmer
[Pw_forum] Help: TDDFPT plots
Ravindra Shinde रविंद्र शिंदे
[Pw_forum] Help: TDDFPT plots
Simon Binnie
[Pw_forum] Phonon eigenvector normalization
Jiseok Kim
[Pw_forum] Phonon eigenvector normalization
Paolo Giannozzi
[Pw_forum] plot_num in pp.x
Ruibin Liu
[Pw_forum] Problems computing Cholesky
Roberto G. A. Veiga
[Pw_forum] Problems computing Cholesky
Paolo Giannozzi
[Pw_forum] Can QE outputs velocities in MD implemented by scf ?
Tian Lan
[Pw_forum] Can QE outputs velocities in MD implemented by scf ?
Paolo Giannozzi
[Pw_forum] compiling with ifort
eitan eidelstein
[Pw_forum] compiling with ifort
Axel Kohlmeyer
[Pw_forum] compiling with ifort
Paolo Giannozzi
[Pw_forum] failure in trying to compute U
"José C. Conesa"
[Pw_forum] failure in trying to compute U
Jia Chen
[Pw_forum] failure in trying to compute U
Paolo Giannozzi
[Pw_forum] execution problem when compiling with openmp and ifort
eitan eidelstein
[Pw_forum] execution problem when compiling with openmp and ifort
Paolo Giannozzi
[Pw_forum] execution problem when compiling with openmp and ifort
Paolo Giannozzi
[Pw_forum] core-relax in hyperfine calculation (GIPAW)
Jarkko Vähäkangas
[Pw_forum] core-relax in hyperfine calculation (GIPAW)
Davide Ceresoli
[Pw_forum] Titanium Pseudopotential
Iwan Darmadi
[Pw_forum] Titanium Pseudopotential
Paolo Giannozzi
[Pw_forum] Error in 'nscf' calculation " from cdiaghg : diagonalization (ZHEGV*) failed"
Kopinjol Baishya
[Pw_forum] Error in 'nscf' calculation " from cdiaghg : diagonalization (ZHEGV*) failed"
Paolo Giannozzi
[Pw_forum] svn espresso - segmentation fault in file set_irr.f90
Bramha Pandey
[Pw_forum] svn espresso - segmentation fault in file set_irr.f90
Paolo Giannozzi
[Pw_forum] svn espresso - segmentation fault in file set_irr.f90
Bramha Pandey
[Pw_forum] FW: Error in routine cdiaghg (81): S matrix not positive definite
vijaya subramanian
[Pw_forum] FW: Error in routine cdiaghg (81): S matrix not positive definite
Bramha Pandey
[Pw_forum] what code actually loads xplor files? The edmplugin does not seem to execute and I can't find a py file.
Mike Marchywka
[Pw_forum] what code actually loads xplor files? The edmplugin does not seem to execute and I can't find a py file.
Mike Marchywka
[Pw_forum] what code actually loads xplor files? The edmplugin does not seem to execute and I can't find a py file.
Paolo Giannozzi
[Pw_forum] Pseudo directory error
deepika goyal
[Pw_forum] Pseudo directory error
Ari P Seitsonen
[Pw_forum] Pseudo directory error
Bramha Pandey
[Pw_forum] Pseudo directory error
deepika goyal
[Pw_forum] Pseudo directory error
Bramha Pandey
[Pw_forum] Pseudo directory error
deepika goyal
[Pw_forum] Pseudo directory error
Ari P Seitsonen
[Pw_forum] Pseudo directory error
Bramha Pandey
[Pw_forum] Pseudo directory error
deepika goyal
[Pw_forum] Pseudo directory error
Bramha Pandey
[Pw_forum] Pseudo directory error
deepika goyal
[Pw_forum] Pseudo directory error
Ari P Seitsonen
[Pw_forum] Pseudo directory error
Bramha Pandey
[Pw_forum] Pseudo directory error
Axel Kohlmeyer
[Pw_forum] Pseudo directory error
Ari P Seitsonen
[Pw_forum] Pseudo directory error
Bramha Pandey
[Pw_forum] Pseudo directory error
Axel Kohlmeyer
[Pw_forum] Post-doc position in Materials Research Centre at Indian Institute of Science, Bangalore, India
Aaditya Manjanath
[Pw_forum] what is the relevance between the Kohn-Sham Orbital isosurface and real molecular orbitals?
Yavar Taghipour Azar
[Pw_forum] what is the relevance between the Kohn-Sham Orbital isosurface and real molecular orbitals?
Ari P Seitsonen
[Pw_forum] what is the relevance between the Kohn-Sham Orbital isosurface and real molecular orbitals?
yavar pour azar
[Pw_forum] Not Convergent DFT+U
Iwan Darmadi
[Pw_forum] Help with Building and Installing Quantum Espresso
Jean Martel
[Pw_forum] Help with Building and Installing Quantum Espresso
Mike Atambo
[Pw_forum] Help with Building and Installing Quantum Espresso
Jean Martel
[Pw_forum] Help with Building and Installing Quantum Espresso
Filippo Spiga
[Pw_forum] Help with Building and Installing Quantum Espresso
Jean Martel
[Pw_forum] problem calculating el-ph in Hexagonal crystal system
Xiaolong Zhang
[Pw_forum] problem calculating el-ph in Hexagonal crystal system
Xiaolong Zhang
[Pw_forum] problem calculating el-ph in Hexagonal crystal system
Xiaolong Zhang
[Pw_forum] forrtl: severe (174): SIGSEGV, segmentation fault occurred in stress calculation in DFT+U calcualtion
Bramha Pandey
[Pw_forum] error in reading namelist
Mahdi Faghih nasiri
[Pw_forum] error in reading namelist
Bramha Pandey
[Pw_forum] error in reading namelist
Paolo Giannozzi
[Pw_forum] PHonon examples crashes in SUSE 11.1 with compiled with ifort there is some memory problem in
eitan eidelstein
[Pw_forum] PHonon examples crashes in SUSE 11.1 with compiled with ifort there is some memory problem in
eitan eidelstein
[Pw_forum] job announcement & season's greetings
Stefano Baroni
[Pw_forum] Wishing a Merry Christmas
Bramha Pandey
[Pw_forum] Calculating Tc from phonons
dt...@bath.ac.uk
[Pw_forum] g-tensor
zhang123
[Pw_forum] g-tensor
Davide Ceresoli
[Pw_forum] g-tensor
zhang123
[Pw_forum] local and global minimums in relaxation
Sergey
[Pw_forum] local and global minimums in relaxation
Paolo Giannozzi
[Pw_forum] local and global minimums in relaxation
Sergey
[Pw_forum] local and global minimums in relaxation
Mike Marchywka
[Pw_forum] local and global minimums in relaxation
Paolo Giannozzi
[Pw_forum] local and global minimums in relaxation
Mike Marchywka
[Pw_forum] local and global minimums in relaxation
Paolo Giannozzi
[Pw_forum] local and global minimums in relaxation
Lorenzo Paulatto
[Pw_forum] local and global minimums in relaxation
Mike Marchywka
[Pw_forum] local and global minimums in relaxation
Mike Marchywka
[Pw_forum] local and global minimums in relaxation
Paolo Giannozzi
[Pw_forum] Different number of symmetry operations
Feng Tian
[Pw_forum] Different number of symmetry operations
Stefano de Gironcoli
[Pw_forum] Different number of symmetry operations
David Strubbe
[Pw_forum] Different number of symmetry operations
Paolo Giannozzi
[Pw_forum] restart phonon calculation in 5.0.2
Xiaolong Zhang
[Pw_forum] restart phonon calculation in 5.0.2
Paolo Giannozzi
[Pw_forum] restart phonon calculation in 5.0.2
Xiaolong Zhang
[Pw_forum] restart phonon calculation in 5.0.2
Xiaolong Zhang
[Pw_forum] .dat file of plotnum=7
mashiat alaaii
[Pw_forum] More bug fixes for QE v.5.0.2
Paolo Giannozzi
[Pw_forum] restart problem using Grid parallelization
Xiaolong Zhang
[Pw_forum] restart problem using Grid parallelization
Paolo Giannozzi
[Pw_forum] restart problem using Grid parallelization
Xiaolong Zhang
[Pw_forum] Remove/Adding d-shell electron : U calculation
Iwan Darmadi
[Pw_forum] Remove/Adding d-shell electron : U calculation
Burak Himmetoglu
[Pw_forum] Default PWscf Temperature/Pressure
Ben Palmer
[Pw_forum] Default PWscf Temperature/Pressure
Paolo Giannozzi
[Pw_forum] Default PWscf Temperature/Pressure
Ben Palmer
[Pw_forum] Pw_forum Digest, Vol 66, Issue 43
pari shok
[Pw_forum] Pw_forum Digest, Vol 66, Issue 43
Bramha Pandey
[Pw_forum] question about PDOS
somayeh fotohi
[Pw_forum] QUESTION ABOUT PDOS
maryam salehi
[Pw_forum] QUESTION ABOUT PDOS
Ali KACHMAR
[Pw_forum] questions about computing the third order coupling tensor implemented by d3.x code
Tian Lan
[Pw_forum] questions about computing the third order coupling tensor implemented by d3.x code
Lorenzo Paulatto
[Pw_forum] questions about computing the third order coupling tensor implemented by d3.x code
Tian Lan
[Pw_forum] questions about computing the third order coupling tensor implemented by d3.x code
Lorenzo Paulatto
[Pw_forum] questions about computing the third order coupling tensor implemented by d3.x code
Tian Lan
[Pw_forum] bandgap calculation of insulators with direct gap
Amin Torabi
[Pw_forum] bandgap calculation of insulators with direct gap
Paolo Giannozzi
[Pw_forum] bandgap calculation of insulators with direct gap
Giuseppe Mattioli
[Pw_forum] bandgap calculation of insulators with direct gap
Paolo Giannozzi
[Pw_forum] bandgap calculation of insulators with direct gap
Amin Torabi
[Pw_forum] bandgap calculation of insulators with direct gap
Paolo Giannozzi
[Pw_forum] the problem of running with different
pari shok
[Pw_forum] the problem of running with different
Layla Martin-Samos
[Pw_forum] the problem of running with different
Paolo Giannozzi
[Pw_forum] image parallelization and electric fields
David Strubbe
[Pw_forum] image parallelization and electric fields
Layla Martin-Samos
[Pw_forum] negative phonon frequencies again :: graphene
Martin Gmitra
[Pw_forum] negative phonon frequencies again :: graphene
Martin Gmitra
[Pw_forum] negative phonon frequencies again :: graphene
Lorenzo Paulatto
[Pw_forum] negative phonon frequencies again :: graphene
Martin Gmitra
[Pw_forum] negative phonon frequencies again :: graphene
Paolo Giannozzi
[Pw_forum] Error to run PWCOND examples
Bramha Pandey
[Pw_forum] Error to run PWCOND examples
Bramha Pandey
[Pw_forum] Error to run PWCOND examples
Paolo Giannozzi
[Pw_forum] Doubt: number of Kohn-Sham states and magnetization
Antonio
[Pw_forum] Doubt: number of Kohn-Sham states and magnetization
Paolo Giannozzi
[Pw_forum] Doubt: number of Kohn-Sham states and magnetization
Antonio
[Pw_forum] Doubt: number of Kohn-Sham states and magnetization
Giuseppe Mattioli
[Pw_forum] PHonon examples crashes in SUSE 11.1 with compiled with ifort
eitan eidelstein
[Pw_forum] PHonon examples crashes in SUSE 11.1 with compiled with ifort
Paolo Giannozzi
[Pw_forum] PW and PHonon examples crashes in SUSE 11.1 with compiled with gfortran
eitan eidelstein
[Pw_forum] PW and PHonon examples crashes in SUSE 11.1 with compiled with gfortran
Paolo Giannozzi
[Pw_forum] PW and PHonon examples crashes in SUSE 11.1 with compiled with gfortran
Giuseppe Mattioli
[Pw_forum] Electron-phonon: lambda zero
dt...@bath.ac.uk
[Pw_forum] Can QE5.01 do RAMAN with GGA?
Feng Tian
[Pw_forum] Can QE5.01 do RAMAN with GGA?
Paolo Giannozzi
[Pw_forum] Can QE5.01 do RAMAN with GGA?
Eduardo Ariel Menendez Proupin
[Pw_forum] Can QE5.01 do RAMAN with GGA?
Paolo Giannozzi
[Pw_forum] missing dependencies
David Strubbe
[Pw_forum] missing dependencies
Paolo Giannozzi
[Pw_forum] EFG calculation with GIPAW psudopotentials
Arles V. Gil Rebaza
[Pw_forum] EFG calculation with GIPAW psudopotentials
Davide Ceresoli
[Pw_forum] EFG calculation with GIPAW psudopotentials
Arles V. Gil Rebaza
[Pw_forum] EFG calculation with GIPAW psudopotentials
Davide Ceresoli
[Pw_forum] all-electron relaxation
David Grifith
[Pw_forum] all-electron relaxation
Giuseppe Mattioli
[Pw_forum] all-electron relaxation
David Grifith
[Pw_forum] all-electron relaxation
Abdeslam HOUARI
[Pw_forum] unit of mode vectors in matdyn.modes
Steve Schmerler
[Pw_forum] unit of mode vectors in matdyn.modes
Yao Yao
[Pw_forum] unit of mode vectors in matdyn.modes
Paolo Giannozzi
[Pw_forum] unit of mode vectors in matdyn.modes
Steve Schmerler
[Pw_forum] unit of mode vectors in matdyn.modes
Paolo Giannozzi
[Pw_forum] unit of mode vectors in matdyn.modes
Steve Schmerler
[Pw_forum] unit of mode vectors in matdyn.modes
Lorenzo Paulatto
[Pw_forum] documentation for dynmat.x
David Strubbe
[Pw_forum] documentation for dynmat.x
Layla Martin-Samos
[Pw_forum] EELNE Spectra
Sanjeev Gupta
[Pw_forum] EELNE Spectra
Matteo Calandra
[Pw_forum] problem with plotband.x
Surender
[Pw_forum] problem with plotband.x
Alfredo Ramirez
[Pw_forum] contradictory results of electron-phonon interaction for different k-grids
高淼
[Pw_forum] contradictory results of electron-phonon interaction for different k-grids
Lorenzo Paulatto
[Pw_forum] contradictory results of electron-phonon interaction for different k-grids
高淼
[Pw_forum] make.sys for the new machine: IDRIS - ADA
Emine Kucukbenli
[Pw_forum] grid.1 and mgrid
naz...@iasbs.ac.ir
[Pw_forum] grid.1 and mgrid
Axel Kohlmeyer
[Pw_forum] grid.1 and mgrid
naz...@iasbs.ac.ir
[Pw_forum] r mesh for u(i,k,G)
naz...@iasbs.ac.ir
[Pw_forum] r mesh for u(i,k,G)
Stefano Baroni
[Pw_forum] Smearing
Manoj Narayanan
[Pw_forum] Smearing
Nicola Marzari
[Pw_forum] R_Cut in pseudopotentials in QE website
david furman
[Pw_forum] R_Cut in pseudopotentials in QE website
Paolo Giannozzi
[Pw_forum] Energy window in STM simulation
David Pullman
[Pw_forum] Energy window in STM simulation
Gabriele Sclauzero
[Pw_forum] Energy window in STM simulation
David Pullman
[Pw_forum] Energy window in STM simulation
Gabriele Sclauzero
[Pw_forum] error: "ortho went bananas" in cp.x run
Bramha Pandey
[Pw_forum] error: "ortho went bananas" in cp.x run
Paolo Giannozzi
[Pw_forum] error: "ortho went bananas" in cp.x run
Emine Kucukbenli
[Pw_forum] error: "ortho went bananas" in cp.x run
Bramha Pandey
[Pw_forum] error: "ortho went bananas" in cp.x run
Emine Kucukbenli
[Pw_forum] error: "ortho went bananas" in cp.x run
Bramha Pandey
[Pw_forum] error: "ortho went bananas" in cp.x run
Paolo Giannozzi
[Pw_forum] error: "ortho went bananas" in cp.x run
Bramha Pandey
[Pw_forum] error: "ortho went bananas" in cp.x run
Layla Martin-Samos
[Pw_forum] error: "ortho went bananas" in cp.x run
Bramha Pandey
[Pw_forum] error: "ortho went bananas" in cp.x run
Lorenzo Paulatto
[Pw_forum] error: "ortho went bananas" in cp.x run
Bramha Pandey
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