October 2011 Archives by date
Starting: Sat Oct 1 11:54:41 CEST 2011
Ending: Mon Oct 31 21:40:37 CET 2011
Messages: 323
- [Pw_forum] GADGET and PWSCF
Lorenzo Paulatto
- [Pw_forum] images and pools
Charlie Eppes
- [Pw_forum] CuO bulk Error during compilation
ambesh dixit
- [Pw_forum] CuO bulk Error during compilation
GAO Zhe
- [Pw_forum] CuO bulk Error during compilation
Michael Sullivan
- [Pw_forum] A Question about ILDOS on different planes
pari shok
- [Pw_forum] A Question about ILDOS on different planes
Gabriele Sclauzero
- [Pw_forum] images and pools
Paolo Giannozzi
- [Pw_forum] projwfc.x error
Paolo Giannozzi
- [Pw_forum] problem in vc-relax
Ashish Kumar
- [Pw_forum] problem with ibrav = -12
jose manuel menendez montes
- [Pw_forum] problem in vc-relax
Stefano de Gironcoli
- [Pw_forum] problem in vc-relax
Arles V. Gil Rebaza
- [Pw_forum] problem with ibrav = -12
Paolo Giannozzi
- [Pw_forum] problem in vc-relax
Mike Mehl
- [Pw_forum] projwfc.x error
Zhiting Tian
- [Pw_forum] problem in vc-relax
vkarthik
- [Pw_forum] problem in vc-relax
Alexander G. Kvashnin
- [Pw_forum] problem in vc-relax
Paolo Giannozzi
- [Pw_forum] problem in vc-relax
Alexander G. Kvashnin
- [Pw_forum] problem in vc-relax
Paolo Giannozzi
- [Pw_forum] problem in vc-relax
Alexander G. Kvashnin
- [Pw_forum] nspin=1 in NEB calculation
He Jinghui
- [Pw_forum] Can we obtain anharmonic vibration energy from s3.x?
GAO Zhe
- [Pw_forum] problem in vc-relax
Paolo Giannozzi
- [Pw_forum] how to calculate magnetic moment on each atoms
patriot pershing
- [Pw_forum] RE : how to calculate magnetic moment on each atoms
BARRETEAU Cyrille
- [Pw_forum] server maintenance
Layla Martin-Samos
- [Pw_forum] nspin=1 in NEB calculation
Guido Fratesi
- [Pw_forum] how to calculate magnetic moment on each atoms
Arles V. Gil Rebaza
- [Pw_forum] Issue with phonon calculation on supercell.
Éric Germaneau
- [Pw_forum] Open postdoctoral position in computational molecular modelling for geochemical applications
Marc Blanchard
- [Pw_forum] molecule raman tensor calculation meet error
jinxi
- [Pw_forum] molecule raman tensor calculation meet error
jinxi
- [Pw_forum] A Question about ILDOS on different planes
pari shok
- [Pw_forum] problem in vc-relax
Alexander G. Kvashnin
- [Pw_forum] problem in vc-relax
Paolo Giannozzi
- [Pw_forum] molecule raman tensor calculation meet error
Paolo Giannozzi
- [Pw_forum] A Question about ILDOS on different planes
Gabriele Sclauzero
- [Pw_forum] A Question about ILDOS on different planes
Guido Fratesi
- [Pw_forum] Pw_forum Digest, Vol 52, Issue 3
ambesh dixit
- [Pw_forum] nspin=1 in NEB calculation
He Jinghui
- [Pw_forum] nspin=1 in NEB calculation
Guido Fratesi
- [Pw_forum] problem in vc-relax
Lars Matthes
- [Pw_forum] problems with Fluor pseudopotentials
valemar at cab.cnea.gov.ar
- [Pw_forum] problem in vc-relax
Paolo Giannozzi
- [Pw_forum] problems with Fluor pseudopotentials
Paolo Giannozzi
- [Pw_forum] Issue with phonon calculation on supercell.
Sanjeev Gupta
- [Pw_forum] Problem with Raman and Infrared Active Modes
HASAN SAHIN
- [Pw_forum] Problem with Raman and Infrared Active Modes
Paolo Giannozzi
- [Pw_forum] problem in xspectra calculations
Paolo Giannozzi
- [Pw_forum] Problem with Raman and Infrared Active Modes
HASAN SAHIN
- [Pw_forum] Problem with Raman and Infrared Active Modes
Paolo Giannozzi
- [Pw_forum] Problem with Raman and Infrared Active Modes
Martin Andersson
- [Pw_forum] Problem with Raman and Infrared Active Modes
HASAN SAHIN
- [Pw_forum] Problem with Raman and Infrared Active Modes
Stefano Baroni
- [Pw_forum] Problem with Raman and Infrared Active Modes
Andrea Dal Corso
- [Pw_forum] Issue with phonon calculation on supercell.
Éric Germaneau
- [Pw_forum] Issue with phonon calculation on supercell.
Éric Germaneau
- [Pw_forum] problems with pp.x for parallel processing
Natalia Pavlenko
- [Pw_forum] input and output of average.x
mashiat alaaii
- [Pw_forum] input and output of average.x
Paolo Giannozzi
- [Pw_forum] problems with pp.x for parallel processing
Paolo Giannozzi
- [Pw_forum] working neb example
Hans Horn
- [Pw_forum] problems with pp.x for parallel processing
Natalia Pavlenko
- [Pw_forum] working neb example
Changru Ma
- [Pw_forum] problems with pp.x for parallel processing
GAO Zhe
- [Pw_forum] xspectra - spin polarization and core-hole delocalization
maxradin at umich.edu
- [Pw_forum] problems with pp.x for parallel processing
Natalia Pavlenko
- [Pw_forum] problems with pp.x for parallel processing
Paolo Giannozzi
- [Pw_forum] how to calculate magnetic moment on each atoms
patriot pershing
- [Pw_forum] RE : how to calculate magnetic moment on each atoms
patriot pershing
- [Pw_forum] problems with pp.x for parallel processing
Natalia Pavlenko
- [Pw_forum] problem
mariam malmir
- [Pw_forum] RE : problem
BARRETEAU Cyrille
- [Pw_forum] problem
Arles V. Gil Rebaza
- [Pw_forum] problems with pp.x for parallel processing
Paolo Giannozzi
- [Pw_forum] problem with 4.2.1 version
yaldaa kh
- [Pw_forum] Compile error when using Cygwin and gfortran 4.7
Sean Muir
- [Pw_forum] input and output of average.x
mashiat alaaii
- [Pw_forum] Pw_forum Digest, Vol 52, Issue 17
mariam malmir
- [Pw_forum] problems with pp.x for parallel processing
Natalia Pavlenko
- [Pw_forum] Is it possible to calculate free energy of graphite at specified temperature?
GAO Zhe
- [Pw_forum] Is it possible to calculate free energy of graphite at specified temperature?
bhabya sahoo
- [Pw_forum] problem in calculation by 4.2.1 version
yaldaa kh
- [Pw_forum] species list in "set_hubbard_l.f90" and "tabd.f90"
Vo, Trinh (388C)
- [Pw_forum] How to obtain the viberating modes from the file *.dyn?
陶鹏
- [Pw_forum] (no subject)
PLN Murty
- [Pw_forum] Is it possible to calculate free energy of graphite at specified temperature?
GAO Zhe
- [Pw_forum] Is it possible to calculate free energy of graphite at specified temperature?
GAO Zhe
- [Pw_forum] Is it possible to calculate free energy of graphite at specified temperature?
Paolo Giannozzi
- [Pw_forum] problem in calculation by 4.2.1 version
Paolo Giannozzi
- [Pw_forum] input and output of average.x
Gabriele Sclauzero
- [Pw_forum] Is it possible to calculate free energy of graphite at specified temperature?
GAO Zhe
- [Pw_forum] Compile error when using Cygwin and gfortran 4.7
Paolo Giannozzi
- [Pw_forum] problems with pp.x for parallel processing
Paolo Giannozzi
- [Pw_forum] some suggestions regarding the DFT-D module
pieremanuele canepa
- [Pw_forum] problem
mariam malmir
- [Pw_forum] mariam malmir wants to chat
mariam malmir
- [Pw_forum] some suggestions regarding the DFT-D module
Paolo Giannozzi
- [Pw_forum] some suggestions regarding the DFT-D module
P.Canepa
- [Pw_forum] some suggestions regarding the DFT-D module
P.Canepa
- [Pw_forum] Is it possible to calculate free energy of graphite at specified temperature?
Éric Germaneau
- [Pw_forum] Is it possible to calculate free energy of graphite at specified temperature?
Éric Germaneau
- [Pw_forum] Issue with phonon calculation on supercell.
Éric Germaneau
- [Pw_forum] species list in "set_hubbard_l.f90" and "tabd.f90"
Heather Kulik
- [Pw_forum] species list in "set_hubbard_l.f90" and "tabd.f90"
Vo, Trinh (388C)
- [Pw_forum] charge ordered state
hanghui chen
- [Pw_forum] Phonon Cal for Pnam Space group
Pankaj Pankaj
- [Pw_forum] inputfile of magnesium Hydride
Winfred Mulwa
- [Pw_forum] Phonon Cal for Pnam Space group
Paolo Giannozzi
- [Pw_forum] charge ordered state
Paolo Giannozzi
- [Pw_forum] ELF error with version 4.3
psavita
- [Pw_forum] problem in xspectra calculations
Niharika Joshi
- [Pw_forum] compilation QHA code
bhabya sahoo
- [Pw_forum] compilation QHA code
Stefano Baroni
- [Pw_forum] compilation QHA code
GAO Zhe
- [Pw_forum] (no subject)
bhabya sahoo
- [Pw_forum] problem in xspectra calculations
Matteo Calandra
- [Pw_forum] Piezoelectric Response
swapnil chandratre
- [Pw_forum] compilation QHA code
Paolo Giannozzi
- [Pw_forum] ELF error with version 4.3
Paolo Giannozzi
- [Pw_forum] electron-phonon coupling tutorial
Hua Bao
- [Pw_forum] Piezoelectric Response
Stefano Baroni
- [Pw_forum] Piezoelectric Response
swapnil chandratre
- [Pw_forum] which criterion does not meet during relax progresss
xu yuehua
- [Pw_forum] compilation problem
bhabya sahoo
- [Pw_forum] compilation problem
Paolo Giannozzi
- [Pw_forum] iotk error
Paolo Giannozzi
- [Pw_forum] which criterion does not meet during relax progresss
Paolo Giannozzi
- [Pw_forum] compilation Qha
bhabya sahoo
- [Pw_forum] (no subject)
bhabya sahoo
- [Pw_forum] compilation
bhabya sahoo
- [Pw_forum] Phonon calculation for Pnma structure
Pankaj Pankaj
- [Pw_forum] compilation in QHA
bhabya sahoo
- [Pw_forum] general question on openMP
pascal boulet
- [Pw_forum] Problem -
Ali ALLAM
- [Pw_forum] Problem -
Zhiting Tian
- [Pw_forum] general question on openMP
Giovani Faccin
- [Pw_forum] general question on openMP
Paolo Giannozzi
- [Pw_forum] Problem -
Paolo Giannozzi
- [Pw_forum] compilation in QHA
Paolo Giannozzi
- [Pw_forum] Phonon calculation for Pnma structure
Paolo Giannozzi
- [Pw_forum] electron-phonon coupling tutorial
Paolo Giannozzi
- [Pw_forum] iotk error
Éric Germaneau
- [Pw_forum] which criterion does not meet during relax progresss
Éric Germaneau
- [Pw_forum] iotk error
Lorenzo Paulatto
- [Pw_forum] Upcoming PASI Workshop "Computational Materials Science for Energy Generation and Conversion"
Derek Stewart
- [Pw_forum] PW for hybrid CPU/GPU systems
Ivan Girotto
- [Pw_forum] Issue with phonon calculation on supercell.
Éric Germaneau
- [Pw_forum] iotk error
Éric Germaneau
- [Pw_forum] PW for hybrid CPU/GPU systems
Stefano Baroni
- [Pw_forum] iotk error
Éric Germaneau
- [Pw_forum] Problem -
陶鹏
- [Pw_forum] Questions about band calculation
Richard Dong
- [Pw_forum] Pw_forum Digest, Vol 52, Issue 28
psavita
- [Pw_forum] problem in xspectra calculations
Niharika Joshi
- [Pw_forum] error band structure of ZnO
debbichi mourad
- [Pw_forum] GPU enabled QE for 64 bit architecture ?
Sonu Kumar
- [Pw_forum] Graphene input file
Gulcin Kucukdalyan
- [Pw_forum] Graphene input file
Lorenzo Paulatto
- [Pw_forum] iotk error
Éric Germaneau
- [Pw_forum] input and output of average.x
mashiat alaaii
- [Pw_forum] dist.x utility
mohaddeseh abbasnejad
- [Pw_forum] input and output of average.x
Gabriele Sclauzero
- [Pw_forum] GPU enabled QE for 64 bit architecture ?
Éric Germaneau
- [Pw_forum] dist.x utility
Paolo Giannozzi
- [Pw_forum] iotk error
Paolo Giannozzi
- [Pw_forum] problem in xspectra calculations
Paolo Giannozzi
- [Pw_forum] Pw_forum Digest, Vol 52, Issue 28
Paolo Giannozzi
- [Pw_forum] Zn NC_PP from qe-forge
之王 改王
- [Pw_forum] Zn NC_PP from qe-forge
Giuseppe Mattioli
- [Pw_forum] Cholesky error for SCF calculations after successful relax
Jennifer Wohlwend
- [Pw_forum] input and output of average.x
bramha pandey
- [Pw_forum] problem in xspectra calculations
Niharika Joshi
- [Pw_forum] problem in xspectra calculations
Ari P Seitsonen
- [Pw_forum] problem in xspectra calculations
Paolo Giannozzi
- [Pw_forum] diffusion constants and refolded positions
Martin Andersson
- [Pw_forum] Zn NC_PP from qe-forge
之王 改王
- [Pw_forum] Request
Thaneshwor Kaloni
- [Pw_forum] Zn NC_PP from qe-forge
Paolo Giannozzi
- [Pw_forum] diffusion constants and refolded positions
Paolo Giannozzi
- [Pw_forum] Cholesky error for SCF calculations after successful relax
Paolo Giannozzi
- [Pw_forum] Request
Paolo Giannozzi
- [Pw_forum] Re : error band structure of ZnO
A.ouahab
- [Pw_forum] Re : error band structure of ZnO
Stefano Baroni
- [Pw_forum] Zn NC_PP from qe-forge
之王 改王
- [Pw_forum] Zn NC_PP from qe-forge
giuseppe.mattioli at mlib.ism.cnr.it
- [Pw_forum] BN polarization
swapnil chandratre
- [Pw_forum] BN polarization
swapnil chandratre
- [Pw_forum] qdel cann't kill the job.
Hongsheng Zhao
- [Pw_forum] qdel cann't kill the job.
Axel Kohlmeyer
- [Pw_forum] BN polarization
Paolo Giannozzi
- [Pw_forum] BN polarization
swapnil chandratre
- [Pw_forum] Ali - Problem - nscf - c_bands: eigenvalues not converged
Ali ALLAM
- [Pw_forum] problem in xspectra calculations
Niharika Joshi
- [Pw_forum] QHA CODE COMPILATION
bhabya sahoo
- [Pw_forum] QHA runtime error
Seyed Mojtaba Rezaei Sani
- [Pw_forum] Phonon calculation with hybrids??
Nandan Tandon
- [Pw_forum] qdel cann't kill the job.
Éric Germaneau
- [Pw_forum] from expint : error # 1, continued fraction failed
Jonathan DuBois
- [Pw_forum] Phonon calculation with hybrids??
Gabriele Sclauzero
- [Pw_forum] from expint : error # 1, continued fraction failed
Paolo Giannozzi
- [Pw_forum] Phonon calculation with hybrids??
Nandan Tandon
- [Pw_forum] Phonon calculation with hybrids??
Gabriele Sclauzero
- [Pw_forum] qdel cann't kill the job.
Arles V. Gil Rebaza
- [Pw_forum] Example07
W2AGZ
- [Pw_forum] Example07
Paolo Giannozzi
- [Pw_forum] qdel cann't kill the job.
Hongsheng Zhao
- [Pw_forum] qdel cann't kill the job.
Hongsheng Zhao
- [Pw_forum] iotk error
Paolo Giannozzi
- [Pw_forum] BN polarization
Paolo Giannozzi
- [Pw_forum] QHA runtime error
Paolo Giannozzi
- [Pw_forum] QHA CODE COMPILATION
Paolo Giannozzi
- [Pw_forum] iotk error
Éric Germaneau
- [Pw_forum] QHA runtime error
Seyed Mojtaba Rezaei Sani
- [Pw_forum] electron-phonon coupling tutorial
Hua Bao
- [Pw_forum] Example07
Nicola Marzari
- [Pw_forum] BFGS ionic relax: maximum number of steps?
Xijun Wang
- [Pw_forum] Zn NC_PP from qe-forge
之王 改王
- [Pw_forum] Zn NC_PP from qe-forge
GAO Zhe
- [Pw_forum] Zn NC_PP from qe-forge
Giuseppe Mattioli
- [Pw_forum] Zn NC_PP from qe-forge
之王 改王
- [Pw_forum] Zn NC_PP from qe-forge
之王 改王
- [Pw_forum] 回复: Ali - Problem - nscf - c_bands: eigenvalues not converged
之王 改王
- [Pw_forum] MgH2 (input file)
Winfred Mulwa
- [Pw_forum] MgH2 (input file)
Lorenzo Paulatto
- [Pw_forum] charge density
mohaddeseh abbasnejad
- [Pw_forum] Zn NC_PP from qe-forge
William Parker
- [Pw_forum] Running an input file
Gulcin Kucukdalyan
- [Pw_forum] Structure Optimization under Sawtooth potential
swapnil chandratre
- [Pw_forum] Zn NC_PP from qe-forge
Nichols A. Romero
- [Pw_forum] Zn NC_PP from qe-forge
Eric J. Walter
- [Pw_forum] Structure Optimization under Sawtooth potential
mohnish pandey
- [Pw_forum] Running an input file
mohnish pandey
- [Pw_forum] Running an input file
Gulcin Kucukdalyan
- [Pw_forum] Running an input file
mohnish pandey
- [Pw_forum] Running an input file
Emine Kucukbenli
- [Pw_forum] normal modes visualization
giuseppe.mattioli at mlib.ism.cnr.it
- [Pw_forum] normal modes visualization
Emine Kucukbenli
- [Pw_forum] normal modes visualization
giuseppe.mattioli at mlib.ism.cnr.it
- [Pw_forum] normal modes visualization
giuseppe.mattioli at mlib.ism.cnr.it
- [Pw_forum] problems with pp.x for parallel processing
Natalia Pavlenko
- [Pw_forum] Tr : error band structure of ZnO
debbichi mourad
- [Pw_forum] error band structure of ZnO
Lorenzo Paulatto
- [Pw_forum] problems with pp.x for parallel processing
Paolo Giannozzi
- [Pw_forum] Zn NC_PP from qe-forge
William Parker
- [Pw_forum] Running an input file
Gulcin Kucukdalyan
- [Pw_forum] Running an input file
Huiqun Zhou
- [Pw_forum] error band structure of ZnO
mohnish pandey
- [Pw_forum] error band structure of ZnO
Paolo Giannozzi
- [Pw_forum] error band structure of ZnO
Lorenzo Paulatto
- [Pw_forum] Tr : Pw_forum Digest, Vol 52, Issue 61
debbichi mourad
- [Pw_forum] Tr : Pw_forum Digest, Vol 52, Issue 61
mohnish pandey
- [Pw_forum] normal modes visualization
Giuseppe Mattioli
- [Pw_forum] normal modes visualization
Giuseppe Mattioli
- [Pw_forum] normal modes visualization
Paolo Giannozzi
- [Pw_forum] WaveFunctions and eigenvectors
Michele Pisarra
- [Pw_forum] themal conductivity
bhabya sahoo
- [Pw_forum] charge density
Paolo Giannozzi
- [Pw_forum] convergence
bhabya sahoo
- [Pw_forum] convergence
Stefano Baroni
- [Pw_forum] convergence
Axel Kohlmeyer
- [Pw_forum] convergence
bhabya sahoo
- [Pw_forum] convergence
Emine Kucukbenli
- [Pw_forum] charge density
Giovanni La Penna
- [Pw_forum] Binding energy of Cu at CNT
chengyu yang
- [Pw_forum] Binding energy of Cu at CNT
chengyu yang
- [Pw_forum] Binding energy of Cu at CNT
chengyu yang
- [Pw_forum] WaveFunctions and eigenvectors
Paolo Giannozzi
- [Pw_forum] Binding energy of Cu at CNT
Paolo Giannozzi
- [Pw_forum] convergence
bhabya sahoo
- [Pw_forum] convergence
Emine Kucukbenli
- [Pw_forum] convergence
bhabya sahoo
- [Pw_forum] Partial phonon DOS
jayashree.pan at jncasr.ac.in
- [Pw_forum] Partial phonon DOS
GAO Zhe
- [Pw_forum] problem
mariam malmir
- [Pw_forum] Binding energy of Cu at CNT
chengyu yang
- [Pw_forum] Binding energy of Cu at CNT
Stefano Baroni
- [Pw_forum] Binding energy of Cu at CNT
chengyu yang
- [Pw_forum] GIPAW: error in output
Carlo Nervi
- [Pw_forum] GIPAW: error in output
Davide Ceresoli
- [Pw_forum] Binding energy of Cu at CNT
Stefano Baroni
- [Pw_forum] Binding energy of Cu at CNT
Nguyen Doan Sau
- [Pw_forum] Binding energy of Cu at CNT
chengyu yang
- [Pw_forum] GIPAW: error in output
Carlo Nervi
- [Pw_forum] GIPAW: error in output
Lorenzo Paulatto
- [Pw_forum] GIPAW: error in output
Carlo Nervi
- [Pw_forum] GIPAW: error in output
Lorenzo Paulatto
- [Pw_forum] Binding energy of Cu at CNT
Stefano Baroni
- [Pw_forum] GIPAW: error in output
Carlo Nervi
- [Pw_forum] Swapping
Payam Norouzzadeh
- [Pw_forum] Swapping
Carlo Nervi
- [Pw_forum] USPP pseudopotentials for spin-orbit coupling calculations
Kiss, Ioan
- [Pw_forum] GIPAW: error in output
Paolo Giannozzi
- [Pw_forum] Swapping
Paolo Giannozzi
- [Pw_forum] USPP pseudopotentials for spin-orbit coupling calculations
Paolo Giannozzi
- [Pw_forum] USPP pseudopotentials for spin-orbit coupling calculations
Andrea Dal Corso
- [Pw_forum] Swapping
Gabriele Sclauzero
- [Pw_forum] GIPAW: error in output
Lorenzo Paulatto
- [Pw_forum] Swapping
Payam Norouzzadeh
- [Pw_forum] Raman spectra calculatio using QE
wumindt2
- [Pw_forum] A problem on GIPAW calculations
scjung at kbsi.re.kr
- [Pw_forum] Raman spectra calculatio using QE
GAO Zhe
- [Pw_forum] A problem on GIPAW calculations
Emine Kucukbenli
- [Pw_forum] starting charge 209.99992, renormalised to 240.00000
Eduardo Ariel Menendez Proupin
- [Pw_forum] Announcement - PhD IN PHYSICS University of Trieste - a.y. 2011/12
peressi at ts.infn.it
- [Pw_forum] starting charge 209.99992, renormalised to 240.00000
Paolo Giannozzi
- [Pw_forum] Fermi energy from scf calculation
Tram Bui
- [Pw_forum] structure oscillating with vc-md
Amin Torabi
- [Pw_forum] Raman spectra calculatio using QE
wumindt2
- [Pw_forum] Fermi energy from scf calculation
bamidele ibrahim
- [Pw_forum] structure oscillating with vc-md
Stefano de Gironcoli
- [Pw_forum] Raman spectra calculatio using QE
Paolo Giannozzi
- [Pw_forum] QE interface to DP code
Michele Pisarra
- [Pw_forum] QE interface to DP code
Stefano Baroni
- [Pw_forum] QE interface to DP code
Layla Martin-Samos
- [Pw_forum] QE interface to DP code
Layla Martin-Samos
- [Pw_forum] structure oscillating with vc-md
Amin Torabi
- [Pw_forum] c_bands: X eigenvalues not converged
WF
- [Pw_forum] error in vc-relax
Abolore Musari
- [Pw_forum] error in vc-relax
Lorenzo Paulatto
- [Pw_forum] Raman spectra calculation using QE
wumindt2
Last message date:
Mon Oct 31 21:40:37 CET 2011
Archived on: Mon Oct 31 21:38:02 CET 2011
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