pw_forum
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2011/11/18
[Pw_forum] QHA frequency is higher than *.freq
Paolo Giannozzi
2011/11/18
[Pw_forum] k point value
Paolo Giannozzi
2011/11/18
[Pw_forum] n_diag
Paolo Giannozzi
2011/11/18
[Pw_forum] error in berry phase calculation
Paolo Giannozzi
2011/11/18
[Pw_forum] gipaw parallel run is too slow
Ren PJ
2011/11/18
[Pw_forum] gipaw parallel run is too slow
Layla Martin-Samos
2011/11/18
[Pw_forum] gipaw parallel run is too slow
Lorenzo Paulatto
2011/11/17
[Pw_forum] error in berry phase calculation
swapnil chandratre
2011/11/17
[Pw_forum] k point value
mohnish pandey
2011/11/17
[Pw_forum] gipaw parallel run is too slow
Ren PJ
2011/11/17
[Pw_forum] units in QE (thread renamed from k point value)
Sonu Kumar
2011/11/17
[Pw_forum] Re :question about input files in pseudopotential library
Sonu Kumar
2011/11/17
[Pw_forum] question about input files in pseudopotential library
Jia Chen
2011/11/17
[Pw_forum] n_diag
Vivek Ranjan
2011/11/17
[Pw_forum] question about input files in pseudopotential library
Lorenzo Paulatto
2011/11/17
[Pw_forum] question about input files in pseudopotential library
Jia Chen
2011/11/17
[Pw_forum] question about input files in pseudopotential library
Paolo Giannozzi
2011/11/17
[Pw_forum] question about input files in pseudopotential library
Jia Chen
2011/11/17
[Pw_forum] calculation of lattice parameter and angle of rhombohedral structure
Éric Germaneau
2011/11/17
[Pw_forum] k point value
Padmaja Patnaik
2011/11/17
[Pw_forum] Defining spin states in PWscf
hariom jani
2011/11/17
[Pw_forum] calculation of lattice parameter and angle of rhombohedral structure
GAO Zhe
2011/11/17
[Pw_forum] calculation of lattice parameter and angle of rhombohedral structure
Gabriele Sclauzero
2011/11/16
[Pw_forum] calculation of lattice parameter and angle of rhombohedral structure
Huiqun Zhou
2011/11/16
[Pw_forum] relax calculation for some atoms in the structure
KangYun Song
2011/11/16
[Pw_forum] QHA frequency is higher than *.freq
KangYun Song
2011/11/16
[Pw_forum] relax calculation for some atoms in the structure
Tram Bui
2011/11/16
[Pw_forum] 'wf_collect' question
Lai Jiang
2011/11/16
[Pw_forum] help on atomic position
Arles V. Gil Rebaza
2011/11/16
[Pw_forum] atomic position of Li15Si4
Omileke Peter
2011/11/16
[Pw_forum] help on atomic position
bamidele ibrahim
2011/11/16
[Pw_forum] Obtaining SCF convergence for Relax Calculation
Michael Mrozik
2011/11/16
[Pw_forum] parallel computing for phonon calculations
Elie M
2011/11/16
[Pw_forum] calculation of lattice parameter and angle of rhombohedral structure
GAO Zhe
2011/11/16
[Pw_forum] calculation of lattice parameter and angle of rhombohedral structure
yedu kondalu
2011/11/16
[Pw_forum] Davidson diagonalization with overlap
Giuseppe Mattioli
2011/11/16
[Pw_forum] QHA frequency is higher than *.freq
Paolo Giannozzi
2011/11/16
[Pw_forum] QHA frequency is higher than *.freq
KangYun Song
2011/11/16
[Pw_forum] Problem with DFT + U calculations
Paolo Giannozzi
2011/11/16
[Pw_forum] vc-relax in QE 4.3.2
Paolo Giannozzi
2011/11/15
[Pw_forum] Query on "e-ph coupling"
Ajit Vallabhaneni
2011/11/15
[Pw_forum] vc-relax in QE 4.3.2
Hanghui Chen
2011/11/15
[Pw_forum] Davidson diagonalization with overlap
Cao TF
2011/11/15
[Pw_forum] Query on "e-ph coupling"
Ajit Vallabhaneni
2011/11/15
[Pw_forum] What kind of calculation needs wavefunction files created by pw.x ?
WF
2011/11/15
[Pw_forum] problem about pp.x: namelist plot not found or invalid
GAO Zhe
2011/11/15
[Pw_forum] problem about pp.x: namelist plot not found or invalid
Guido Fratesi
2011/11/15
[Pw_forum] problem about pp.x: namelist plot not found or invalid
GAO Zhe
2011/11/15
[Pw_forum] problem about pp.x: namelist plot not found or invalid
GAO Zhe
2011/11/15
[Pw_forum] problem about pp.x: namelist plot not found or invalid
Guido Fratesi
2011/11/15
[Pw_forum] problem about pp.x: namelist plot not found or invalid
GAO Zhe
2011/11/15
[Pw_forum] Davidson diagonalization with overlap
Giuseppe Mattioli
2011/11/15
[Pw_forum] Phonon life time calculation
Tribhuwan Pandey
2011/11/15
[Pw_forum] What kind of calculation needs wavefunction files created by pw.x ?
Gabriele Sclauzero
2011/11/15
[Pw_forum] What kind of calculation needs wavefunction files created by pw.x ?
Gabriele Sclauzero
2011/11/15
[Pw_forum] Davidson diagonalization with overlap
Cao TF
2011/11/14
[Pw_forum] Compilation of QE 4.3.2 on (grid) cluster with OpenMPI / OpenMP
Paolo Giannozzi
2011/11/14
[Pw_forum] Compilation of QE 4.3.2 on (grid) cluster with OpenMPI / OpenMP
Axel Kohlmeyer
2011/11/14
[Pw_forum] Compilation of QE 4.3.2 on (grid) cluster with OpenMPI / OpenMP
Cristian Degli Esposti Boschi
2011/11/14
[Pw_forum] What kind of calculation needs wavefunction files created by pw.x ?
WF
2011/11/14
[Pw_forum] jellium background
Nicola Marzari
2011/11/14
[Pw_forum] jellium background
Paolo Giannozzi
2011/11/14
[Pw_forum] jellium background
Paolo Giannozzi
2011/11/14
[Pw_forum] jellium background
he...@fh.huji.ac.il
2011/11/13
[Pw_forum] Pw_forum Digest, Vol 53, Issue 23
Sanjay D. Gupta
2011/11/13
[Pw_forum] Problem with DFT + U calculations
Lai Jiang
2011/11/13
[Pw_forum] Query on Xcrysden
Huiqun Zhou
2011/11/13
[Pw_forum] QHA frequency is higher than *.freq
KangYun Song
2011/11/12
[Pw_forum] image parallelization for phonon calculations
Paolo Giannozzi
2011/11/12
[Pw_forum] image parallelization for phonon calculations
IYAD AL-QASIR
2011/11/12
[Pw_forum] Different mesh for pseudopotential
Mahmoud Payami
2011/11/12
[Pw_forum] Different mesh for pseudopotential
Paolo Giannozzi
2011/11/12
[Pw_forum] Different mesh for pseudopotential
Paolo Giannozzi
2011/11/12
[Pw_forum] image parallelization for phonon calculations
Lorenzo Paulatto
2011/11/12
[Pw_forum] Different mesh for pseudopotential
Mahmoud Payami
2011/11/12
[Pw_forum] image parallelization for phonon calculations
Paolo Giannozzi
2011/11/11
[Pw_forum] image parallelization for phonon calculations
IYAD AL-QASIR
2011/11/11
[Pw_forum] QHA frequency is higher than *.freq
KangYun Song
2011/11/11
[Pw_forum] from 4.1 to 4.2 and 4.3.1 versions of QE in IBM sp6
Paolo Giannozzi
2011/11/11
[Pw_forum] from 4.1 to 4.2 and 4.3.1 versions of QE in IBM sp6
Emine Kucukbenli
2011/11/10
[Pw_forum] from 4.1 to 4.2 and 4.3.1 versions of QE in IBM sp6
giacsp...@libero.it
2011/11/10
[Pw_forum] QHA frequency is higher than *.freq
KangYun Song
2011/11/09
[Pw_forum] LDA scheme used in QE
Stefano de Gironcoli
2011/11/09
[Pw_forum] LDA scheme used in QE
Padmaja Patnaik
2011/11/09
[Pw_forum] PAW potential for C
chengyu yang
2011/11/09
[Pw_forum] PAW potential for C
Duy Le
2011/11/09
[Pw_forum] PAW potential for C
chengyu yang
2011/11/09
[Pw_forum] PAW potential for C
chengyu yang
2011/11/09
[Pw_forum] PAW potential for C
Stefano de Gironcoli
2011/11/09
[Pw_forum] PAW potential for C
chengyu yang
2011/11/09
[Pw_forum] Query on "e-ph coupling"
Paolo Giannozzi
2011/11/08
[Pw_forum] What is the total energy content of a compound?
Stefano Baroni
2011/11/08
[Pw_forum] What is the total energy content of a compound?
Stefano Baroni
2011/11/08
[Pw_forum] What is the total energy content of a compound?
r s
2011/11/08
[Pw_forum] Query on "e-ph coupling"
Ajit Vallabhaneni
2011/11/08
[Pw_forum] I need LDA pseudopotential of Mo
陶鹏
2011/11/08
[Pw_forum] NEB Convergence Problem
Tone Kokalj
2011/11/08
[Pw_forum] I need LDA pseudopotential of Mo
Paolo Giannozzi
2011/11/08
[Pw_forum] I need LDA pseudopotential of Mo
陶鹏
2011/11/07
[Pw_forum] NEB Convergence Problem
Vic Bermudez
2011/11/07
[Pw_forum] Query on Xcrysden
Ren PJ
2011/11/07
[Pw_forum] Query on Xcrysden
Ajit Vallabhaneni
2011/11/07
[Pw_forum] general question on materials physics
pascal boulet
2011/11/07
[Pw_forum] general question on materials physics
Stefano de Gironcoli
2011/11/07
[Pw_forum] general question on materials physics
pascal boulet
2011/11/07
[Pw_forum] general question on materials physics
pascal boulet
2011/11/06
[Pw_forum] NEB Convergence Problem
Tone Kokalj
2011/11/06
[Pw_forum] XCrysDen & Animation Capture
Tone Kokalj
2011/11/06
[Pw_forum] NEB Convergence Problem
Vic Bermudez
2011/11/06
[Pw_forum] XCrysDen & Animation Capture
W2AGZ
2011/11/06
[Pw_forum] Elastic Constants
Nicola Marzari
2011/11/06
[Pw_forum] XCrysDen & Animation Capture
Axel Kohlmeyer
2011/11/05
[Pw_forum] XCrysDen & Animation Capture
Arles V. Gil Rebaza
2011/11/05
[Pw_forum] XCrysDen & Animation Capture
W2AGZ
2011/11/05
[Pw_forum] Elastic Constants
mohnish pandey
2011/11/05
[Pw_forum] How to show bands above fermi level in PDOS?
Paolo Giannozzi
2011/11/05
[Pw_forum] How to show bands above fermi level in PDOS?
KangYun Song
2011/11/05
[Pw_forum] How to show bands above fermi level in PDOS?
WF
2011/11/05
[Pw_forum] "nns"
Mahmoud Payami
2011/11/05
[Pw_forum] "nns"
Paolo Giannozzi
2011/11/05
[Pw_forum] Elastic Constants
henry odhiambo
2011/11/04
[Pw_forum] Question about work function
Alexander G. Kvashnin
2011/11/04
[Pw_forum] "nns"
Mahmoud Payami Shabestari
2011/11/04
[Pw_forum] correct values for "nns"
Mahmoud Payami Shabestari
2011/11/04
[Pw_forum] Structural properties
Éric Germaneau
2011/11/04
[Pw_forum] Defining spin states in PWscf
Andrea Dal Corso
2011/11/04
[Pw_forum] correct values for "nns"
mohaddeseh abbasnejad
2011/11/04
[Pw_forum] Defining spin states in PWscf
hariom jani
2011/11/04
[Pw_forum] correct values for "nns"
Mahmoud Payami Shabestari
2011/11/04
[Pw_forum] Error in pseudopotential generation
Mahmoud Payami Shabestari
2011/11/04
[Pw_forum] Error in pseudopotential generation
mohaddeseh abbasnejad
2011/11/04
[Pw_forum] Error in pseudopotential generation
Mahmoud Payami Shabestari
2011/11/03
[Pw_forum] problem in scf run
Huiqun Zhou
2011/11/03
[Pw_forum] Fwd: Phonon eigenvector calculation
Tribhuwan Pandey
2011/11/03
[Pw_forum] Structural properties
KangYun Song
2011/11/03
[Pw_forum] GIPAW: error in output
KangYun Song
2011/11/03
[Pw_forum] GIPAW: error in output
Carlo Nervi
2011/11/03
[Pw_forum] problem in scf run
Axel Kohlmeyer
2011/11/03
[Pw_forum] mean square displacement amplitude for an atom
Payam Norouzzadeh
2011/11/03
[Pw_forum] GIPAW: error in output
Davide Ceresoli
2011/11/03
[Pw_forum] problem in scf run
Stefano Baroni
2011/11/03
[Pw_forum] problem in scf run
Axel Kohlmeyer
2011/11/03
[Pw_forum] fortran compiler
Axel Kohlmeyer
2011/11/03
[Pw_forum] V_loc |psi> in h_psi
Stefano Baroni
2011/11/03
[Pw_forum] problem in scf run
Pankaj Pankaj
2011/11/03
[Pw_forum] k-path for phonon
Éric Germaneau
2011/11/03
[Pw_forum] V_loc |psi> in h_psi
Lorenzo Paulatto
2011/11/03
[Pw_forum] fortran compiler
F Anis
2011/11/03
[Pw_forum] fortran 90 for suse 11 linux
Lorenzo Paulatto
2011/11/03
[Pw_forum] fortran 90 for suse 11 linux
F Anis
2011/11/03
[Pw_forum] Phonon eigenvector calculation
Tribhuwan Pandey
2011/11/02
[Pw_forum] k-path for phonon
GAO Zhe
2011/11/02
[Pw_forum] V_loc |psi> in h_psi
Yun-Peng Wang
2011/11/02
[Pw_forum] Question regarding stars in postscript band plots
Éric Germaneau
2011/11/02
[Pw_forum] electron-phonon calculations
Elie Moujaes
2011/11/02
[Pw_forum] Pw_forum Digest, Vol 53, Issue 3
nicolas bruno
2011/11/02
[Pw_forum] Question regarding stars in postscript band plots
Paolo Giannozzi
2011/11/02
[Pw_forum] Raman spectra calculation using QE
bhabya sahoo
2011/11/02
[Pw_forum] Raman spectra calculation using QE
Sanjeev Gupta
2011/11/01
[Pw_forum] conflicting values icorr /igcx
Jörg Buchwald
2011/11/01
[Pw_forum] (no subject)
Paolo Giannozzi
2011/11/01
[Pw_forum] conflicting values icorr /igcx
Paolo Giannozzi
2011/11/01
[Pw_forum] Berry phase electric field calculations with empty bands
Paolo Giannozzi
2011/11/01
[Pw_forum] conflicting values icorr /igcx
joerg.buchw...@iom-leipzig.de
2011/11/01
[Pw_forum] Zn NC_PP from qe-forge
Paolo Giannozzi
2011/11/01
[Pw_forum] conflicting values icorr /igcx
Paolo Giannozzi
2011/11/01
[Pw_forum] (no subject)
F Anis
2011/11/01
[Pw_forum] Pw_forum Digest, Vol 53, Issue 1
bahaareh tavakoli nejad
2011/11/01
[Pw_forum] conflicting values icorr /igcx
Jörg Buchwald
2011/11/01
[Pw_forum] Zn NC_PP from qe-forge
Nichols A. Romero
2011/11/01
[Pw_forum] Berry phase electric field calculations with empty bands
Alexander Urban
2011/11/01
[Pw_forum] Berry phase electric field calculations with empty bands
Paolo Giannozzi
2011/11/01
[Pw_forum] Berry phase electric field calculations with empty bands
Alexander Urban
2011/11/01
[Pw_forum] Structural properties
Arles V. Gil Rebaza
2011/11/01
[Pw_forum] Structural properties
nicolas bruno
2011/11/01
[Pw_forum] Raman spectra calculation using QE
Paolo Giannozzi
2011/10/31
[Pw_forum] Raman spectra calculation using QE
bhabya sahoo
2011/10/31
[Pw_forum] Please help me
陶鹏
2011/10/31
[Pw_forum] Please help me
Axel Kohlmeyer
2011/10/31
[Pw_forum] Please help me
陶鹏
2011/10/31
[Pw_forum] Raman spectra calculation using QE
wumindt2
2011/10/30
[Pw_forum] error in vc-relax
Lorenzo Paulatto
2011/10/30
[Pw_forum] error in vc-relax
Abolore Musari
2011/10/30
[Pw_forum] c_bands: X eigenvalues not converged
WF
2011/10/28
[Pw_forum] structure oscillating with vc-md
Amin Torabi
2011/10/28
[Pw_forum] QE interface to DP code
Layla Martin-Samos
2011/10/28
[Pw_forum] QE interface to DP code
Layla Martin-Samos
2011/10/28
[Pw_forum] QE interface to DP code
Stefano Baroni
2011/10/28
[Pw_forum] QE interface to DP code
Michele Pisarra
2011/10/28
[Pw_forum] Raman spectra calculatio using QE
Paolo Giannozzi
2011/10/27
[Pw_forum] structure oscillating with vc-md
Stefano de Gironcoli
2011/10/27
[Pw_forum] Fermi energy from scf calculation
bamidele ibrahim
2011/10/27
[Pw_forum] Raman spectra calculatio using QE
wumindt2
2011/10/27
[Pw_forum] structure oscillating with vc-md
Amin Torabi
2011/10/27
[Pw_forum] Fermi energy from scf calculation
Tram Bui
2011/10/27
[Pw_forum] starting charge 209.99992, renormalised to 240.00000
Paolo Giannozzi
2011/10/27
[Pw_forum] Announcement - PhD IN PHYSICS University of Trieste - a.y. 2011/12
pere...@ts.infn.it
2011/10/27
[Pw_forum] starting charge 209.99992, renormalised to 240.00000
Eduardo Ariel Menendez Proupin
2011/10/26
[Pw_forum] A problem on GIPAW calculations
Emine Kucukbenli
2011/10/26
[Pw_forum] Raman spectra calculatio using QE
GAO Zhe
Earlier messages
Later messages