Messages by Date
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2011/10/26
[Pw_forum] A problem on GIPAW calculations
scj...@kbsi.re.kr
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2011/10/26
[Pw_forum] Raman spectra calculatio using QE
wumindt2
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2011/10/26
[Pw_forum] Swapping
Payam Norouzzadeh
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2011/10/26
[Pw_forum] GIPAW: error in output
Lorenzo Paulatto
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2011/10/26
[Pw_forum] Swapping
Gabriele Sclauzero
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2011/10/25
[Pw_forum] USPP pseudopotentials for spin-orbit coupling calculations
Andrea Dal Corso
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2011/10/25
[Pw_forum] USPP pseudopotentials for spin-orbit coupling calculations
Paolo Giannozzi
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2011/10/25
[Pw_forum] Swapping
Paolo Giannozzi
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2011/10/25
[Pw_forum] GIPAW: error in output
Paolo Giannozzi
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2011/10/25
[Pw_forum] USPP pseudopotentials for spin-orbit coupling calculations
Kiss, Ioan
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2011/10/25
[Pw_forum] Swapping
Carlo Nervi
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2011/10/25
[Pw_forum] Swapping
Payam Norouzzadeh
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2011/10/25
[Pw_forum] GIPAW: error in output
Carlo Nervi
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2011/10/25
[Pw_forum] Binding energy of Cu@CNT
Stefano Baroni
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2011/10/25
[Pw_forum] GIPAW: error in output
Lorenzo Paulatto
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2011/10/25
[Pw_forum] GIPAW: error in output
Carlo Nervi
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2011/10/25
[Pw_forum] GIPAW: error in output
Lorenzo Paulatto
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2011/10/25
[Pw_forum] GIPAW: error in output
Carlo Nervi
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2011/10/25
[Pw_forum] Binding energy of Cu@CNT
chengyu yang
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2011/10/25
[Pw_forum] Binding energy of Cu@CNT
Nguyen Doan Sau
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2011/10/25
[Pw_forum] Binding energy of Cu@CNT
Stefano Baroni
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2011/10/25
[Pw_forum] GIPAW: error in output
Davide Ceresoli
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2011/10/24
[Pw_forum] GIPAW: error in output
Carlo Nervi
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2011/10/24
[Pw_forum] Binding energy of Cu@CNT
chengyu yang
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2011/10/24
[Pw_forum] Binding energy of Cu@CNT
Stefano Baroni
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2011/10/24
[Pw_forum] Binding energy of Cu@CNT
chengyu yang
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2011/10/24
[Pw_forum] problem
mariam malmir
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2011/10/24
[Pw_forum] Partial phonon DOS
GAO Zhe
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2011/10/23
[Pw_forum] Partial phonon DOS
jayashree....@jncasr.ac.in
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2011/10/23
[Pw_forum] convergence
bhabya sahoo
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2011/10/23
[Pw_forum] convergence
Emine Kucukbenli
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2011/10/22
[Pw_forum] convergence
bhabya sahoo
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2011/10/22
[Pw_forum] Binding energy of Cu@CNT
Paolo Giannozzi
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2011/10/22
[Pw_forum] WaveFunctions and eigenvectors
Paolo Giannozzi
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2011/10/22
[Pw_forum] Binding energy of Cu@CNT
chengyu yang
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2011/10/22
[Pw_forum] Binding energy of Cu@CNT
chengyu yang
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2011/10/22
[Pw_forum] Binding energy of Cu@CNT
chengyu yang
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2011/10/21
[Pw_forum] charge density
Giovanni La Penna
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2011/10/21
[Pw_forum] convergence
Emine Kucukbenli
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2011/10/21
[Pw_forum] convergence
bhabya sahoo
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2011/10/21
[Pw_forum] convergence
Axel Kohlmeyer
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2011/10/21
[Pw_forum] convergence
Stefano Baroni
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2011/10/21
[Pw_forum] convergence
bhabya sahoo
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2011/10/21
[Pw_forum] charge density
Paolo Giannozzi
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2011/10/21
[Pw_forum] themal conductivity
bhabya sahoo
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2011/10/21
[Pw_forum] WaveFunctions and eigenvectors
Michele Pisarra
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2011/10/21
[Pw_forum] normal modes visualization
Paolo Giannozzi
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2011/10/21
[Pw_forum] normal modes visualization
Giuseppe Mattioli
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2011/10/21
[Pw_forum] normal modes visualization
Giuseppe Mattioli
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2011/10/21
[Pw_forum] Tr : Pw_forum Digest, Vol 52, Issue 61
mohnish pandey
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2011/10/21
[Pw_forum] Tr : Pw_forum Digest, Vol 52, Issue 61
debbichi mourad
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2011/10/21
[Pw_forum] error band structure of ZnO
Lorenzo Paulatto
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2011/10/21
[Pw_forum] error band structure of ZnO
Paolo Giannozzi
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2011/10/20
[Pw_forum] error band structure of ZnO
mohnish pandey
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2011/10/20
[Pw_forum] Running an input file
Huiqun Zhou
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2011/10/20
[Pw_forum] Running an input file
Gulcin Kucukdalyan
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2011/10/20
[Pw_forum] Zn NC_PP from qe-forge
William Parker
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2011/10/20
[Pw_forum] problems with pp.x for parallel processing
Paolo Giannozzi
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2011/10/20
[Pw_forum] error band structure of ZnO
Lorenzo Paulatto
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2011/10/20
[Pw_forum] Tr : error band structure of ZnO
debbichi mourad
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2011/10/20
[Pw_forum] problems with pp.x for parallel processing
Natalia Pavlenko
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2011/10/20
[Pw_forum] normal modes visualization
giuseppe.matti...@mlib.ism.cnr.it
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2011/10/20
[Pw_forum] normal modes visualization
giuseppe.matti...@mlib.ism.cnr.it
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2011/10/20
[Pw_forum] normal modes visualization
Emine Kucukbenli
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2011/10/20
[Pw_forum] normal modes visualization
giuseppe.matti...@mlib.ism.cnr.it
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2011/10/20
[Pw_forum] Running an input file
Emine Kucukbenli
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2011/10/19
[Pw_forum] Running an input file
mohnish pandey
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2011/10/19
[Pw_forum] Running an input file
Gulcin Kucukdalyan
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2011/10/19
[Pw_forum] Running an input file
mohnish pandey
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2011/10/19
[Pw_forum] Structure Optimization under Sawtooth potential
mohnish pandey
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2011/10/19
[Pw_forum] Zn NC_PP from qe-forge
Eric J. Walter
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2011/10/19
[Pw_forum] Zn NC_PP from qe-forge
Nichols A. Romero
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2011/10/19
[Pw_forum] Structure Optimization under Sawtooth potential
swapnil chandratre
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2011/10/19
[Pw_forum] Running an input file
Gulcin Kucukdalyan
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2011/10/19
[Pw_forum] Zn NC_PP from qe-forge
William Parker
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2011/10/19
[Pw_forum] charge density
mohaddeseh abbasnejad
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2011/10/19
[Pw_forum] MgH2 (input file)
Lorenzo Paulatto
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2011/10/19
[Pw_forum] MgH2 (input file)
Winfred Mulwa
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2011/10/19
[Pw_forum] 回复: Ali - Problem - nscf - c_bands: eigenvalues not converged
之王 改王
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2011/10/19
[Pw_forum] Zn NC_PP from qe-forge
之王 改王
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2011/10/19
[Pw_forum] Zn NC_PP from qe-forge
之王 改王
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2011/10/19
[Pw_forum] Zn NC_PP from qe-forge
Giuseppe Mattioli
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2011/10/19
[Pw_forum] Zn NC_PP from qe-forge
GAO Zhe
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2011/10/19
[Pw_forum] Zn NC_PP from qe-forge
之王 改王
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2011/10/18
[Pw_forum] BFGS ionic relax: maximum number of steps?
Xijun Wang
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2011/10/18
[Pw_forum] Example07
Nicola Marzari
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2011/10/18
[Pw_forum] electron-phonon coupling tutorial
Hua Bao
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2011/10/18
[Pw_forum] QHA runtime error
Seyed Mojtaba Rezaei Sani
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2011/10/18
[Pw_forum] iotk error
Éric Germaneau
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2011/10/18
[Pw_forum] QHA CODE COMPILATION
Paolo Giannozzi
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2011/10/18
[Pw_forum] QHA runtime error
Paolo Giannozzi
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2011/10/18
[Pw_forum] BN polarization
Paolo Giannozzi
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2011/10/18
[Pw_forum] iotk error
Paolo Giannozzi
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2011/10/17
[Pw_forum] qdel cann't kill the job.
Hongsheng Zhao
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2011/10/17
[Pw_forum] qdel cann't kill the job.
Hongsheng Zhao
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2011/10/17
[Pw_forum] Example07
Paolo Giannozzi
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2011/10/17
[Pw_forum] Example07
W2AGZ
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2011/10/17
[Pw_forum] qdel cann't kill the job.
Arles V. Gil Rebaza
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2011/10/17
[Pw_forum] Phonon calculation with hybrids??
Gabriele Sclauzero
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2011/10/17
[Pw_forum] Phonon calculation with hybrids??
Nandan Tandon
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2011/10/17
[Pw_forum] from expint : error # 1, continued fraction failed
Paolo Giannozzi
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2011/10/17
[Pw_forum] Phonon calculation with hybrids??
Gabriele Sclauzero
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2011/10/17
[Pw_forum] from expint : error # 1, continued fraction failed
Jonathan DuBois
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2011/10/17
[Pw_forum] qdel cann't kill the job.
Éric Germaneau
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2011/10/17
[Pw_forum] Phonon calculation with hybrids??
Nandan Tandon
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2011/10/17
[Pw_forum] QHA runtime error
Seyed Mojtaba Rezaei Sani
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2011/10/17
[Pw_forum] QHA CODE COMPILATION
bhabya sahoo
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2011/10/17
[Pw_forum] problem in xspectra calculations
Niharika Joshi
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2011/10/17
[Pw_forum] Ali - Problem - nscf - c_bands: eigenvalues not converged
Ali ALLAM
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2011/10/17
[Pw_forum] BN polarization
swapnil chandratre
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2011/10/17
[Pw_forum] BN polarization
Paolo Giannozzi
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2011/10/16
[Pw_forum] qdel cann't kill the job.
Axel Kohlmeyer
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2011/10/16
[Pw_forum] qdel cann't kill the job.
Hongsheng Zhao
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2011/10/16
[Pw_forum] BN polarization
swapnil chandratre
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2011/10/16
[Pw_forum] BN polarization
swapnil chandratre
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2011/10/16
[Pw_forum] Zn NC_PP from qe-forge
giuseppe.matti...@mlib.ism.cnr.it
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2011/10/16
[Pw_forum] Zn NC_PP from qe-forge
之王 改王
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2011/10/16
[Pw_forum] Re : error band structure of ZnO
Stefano Baroni
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2011/10/16
[Pw_forum] Re : error band structure of ZnO
A.ouahab
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2011/10/15
[Pw_forum] Request
Paolo Giannozzi
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2011/10/15
[Pw_forum] Cholesky error for SCF calculations after successful relax
Paolo Giannozzi
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2011/10/15
[Pw_forum] diffusion constants and refolded positions
Paolo Giannozzi
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2011/10/15
[Pw_forum] Zn NC_PP from qe-forge
Paolo Giannozzi
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2011/10/15
[Pw_forum] Request
Thaneshwor Kaloni
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2011/10/15
[Pw_forum] Zn NC_PP from qe-forge
之王 改王
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2011/10/14
[Pw_forum] diffusion constants and refolded positions
Martin Andersson
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2011/10/14
[Pw_forum] problem in xspectra calculations
Paolo Giannozzi
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2011/10/14
[Pw_forum] problem in xspectra calculations
Ari P Seitsonen
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2011/10/14
[Pw_forum] problem in xspectra calculations
Niharika Joshi
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2011/10/14
[Pw_forum] input and output of average.x
bramha pandey
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2011/10/14
[Pw_forum] Cholesky error for SCF calculations after successful relax
Jennifer Wohlwend
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2011/10/14
[Pw_forum] Zn NC_PP from qe-forge
Giuseppe Mattioli
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2011/10/14
[Pw_forum] Zn NC_PP from qe-forge
之王 改王
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2011/10/14
[Pw_forum] Pw_forum Digest, Vol 52, Issue 28
Paolo Giannozzi
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2011/10/14
[Pw_forum] problem in xspectra calculations
Paolo Giannozzi
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2011/10/14
[Pw_forum] iotk error
Paolo Giannozzi
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2011/10/14
[Pw_forum] dist.x utility
Paolo Giannozzi
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2011/10/14
[Pw_forum] GPU enabled QE for 64 bit architecture ?
Éric Germaneau
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2011/10/14
[Pw_forum] input and output of average.x
Gabriele Sclauzero
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2011/10/13
[Pw_forum] dist.x utility
mohaddeseh abbasnejad
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2011/10/13
[Pw_forum] input and output of average.x
mashiat alaaii
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2011/10/13
[Pw_forum] iotk error
Éric Germaneau
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2011/10/13
[Pw_forum] Graphene input file
Lorenzo Paulatto
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2011/10/13
[Pw_forum] Graphene input file
Gulcin Kucukdalyan
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2011/10/13
[Pw_forum] GPU enabled QE for 64 bit architecture ?
Sonu Kumar
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2011/10/13
[Pw_forum] error band structure of ZnO
debbichi mourad
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2011/10/13
[Pw_forum] problem in xspectra calculations
Niharika Joshi
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2011/10/12
[Pw_forum] Pw_forum Digest, Vol 52, Issue 28
psavita
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2011/10/12
[Pw_forum] Questions about band calculation
Richard Dong
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2011/10/12
[Pw_forum] Problem -
陶鹏
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2011/10/12
[Pw_forum] iotk error
Éric Germaneau
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2011/10/12
[Pw_forum] PW for hybrid CPU/GPU systems
Stefano Baroni
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2011/10/12
[Pw_forum] iotk error
Éric Germaneau
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2011/10/12
[Pw_forum] Issue with phonon calculation on supercell.
Éric Germaneau
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2011/10/12
[Pw_forum] PW for hybrid CPU/GPU systems
Ivan Girotto
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2011/10/12
[Pw_forum] Upcoming PASI Workshop "Computational Materials Science for Energy Generation and Conversion"
Derek Stewart
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2011/10/12
[Pw_forum] iotk error
Lorenzo Paulatto
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2011/10/12
[Pw_forum] which criterion does not meet during relax progresss
Éric Germaneau
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2011/10/12
[Pw_forum] iotk error
Éric Germaneau
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2011/10/12
[Pw_forum] electron-phonon coupling tutorial
Paolo Giannozzi
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2011/10/12
[Pw_forum] Phonon calculation for Pnma structure
Paolo Giannozzi
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2011/10/12
[Pw_forum] compilation in QHA
Paolo Giannozzi
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2011/10/12
[Pw_forum] Problem -
Paolo Giannozzi
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2011/10/12
[Pw_forum] general question on openMP
Paolo Giannozzi
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2011/10/12
[Pw_forum] general question on openMP
Giovani Faccin
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2011/10/12
[Pw_forum] Problem -
Zhiting Tian
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2011/10/12
[Pw_forum] Problem -
Ali ALLAM
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2011/10/12
[Pw_forum] general question on openMP
pascal boulet
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2011/10/12
[Pw_forum] compilation in QHA
bhabya sahoo
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2011/10/12
[Pw_forum] Phonon calculation for Pnma structure
Pankaj Pankaj
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2011/10/12
[Pw_forum] compilation
bhabya sahoo
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2011/10/12
[Pw_forum] (no subject)
bhabya sahoo
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2011/10/11
[Pw_forum] compilation Qha
bhabya sahoo
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2011/10/11
[Pw_forum] which criterion does not meet during relax progresss
Paolo Giannozzi
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2011/10/11
[Pw_forum] iotk error
Paolo Giannozzi
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2011/10/11
[Pw_forum] compilation problem
Paolo Giannozzi
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2011/10/11
[Pw_forum] compilation problem
bhabya sahoo
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2011/10/11
[Pw_forum] which criterion does not meet during relax progresss
xu yuehua
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2011/10/11
[Pw_forum] Piezoelectric Response
swapnil chandratre
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2011/10/11
[Pw_forum] Piezoelectric Response
Stefano Baroni
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2011/10/11
[Pw_forum] electron-phonon coupling tutorial
Hua Bao
-
2011/10/11
[Pw_forum] ELF error with version 4.3
Paolo Giannozzi
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2011/10/11
[Pw_forum] compilation QHA code
Paolo Giannozzi
-
2011/10/11
[Pw_forum] Piezoelectric Response
swapnil chandratre
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2011/10/11
[Pw_forum] problem in xspectra calculations
Matteo Calandra
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2011/10/11
[Pw_forum] (no subject)
bhabya sahoo
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2011/10/11
[Pw_forum] compilation QHA code
GAO Zhe
-
2011/10/11
[Pw_forum] compilation QHA code
Stefano Baroni
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2011/10/11
[Pw_forum] compilation QHA code
bhabya sahoo
-
2011/10/11
[Pw_forum] problem in xspectra calculations
Niharika Joshi
-
2011/10/11
[Pw_forum] ELF error with version 4.3
psavita
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2011/10/11
[Pw_forum] charge ordered state
Paolo Giannozzi
-
2011/10/11
[Pw_forum] Phonon Cal for Pnam Space group
Paolo Giannozzi
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2011/10/10
[Pw_forum] inputfile of magnesium Hydride
Winfred Mulwa
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2011/10/10
[Pw_forum] Phonon Cal for Pnam Space group
Pankaj Pankaj
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2011/10/10
[Pw_forum] charge ordered state
hanghui chen
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2011/10/10
[Pw_forum] species list in "set_hubbard_l.f90" and "tabd.f90"
Vo, Trinh (388C)
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2011/10/10
[Pw_forum] species list in "set_hubbard_l.f90" and "tabd.f90"
Heather Kulik
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2011/10/10
[Pw_forum] Issue with phonon calculation on supercell.
Éric Germaneau
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2011/10/10
[Pw_forum] Is it possible to calculate free energy of graphite at specified temperature?
Éric Germaneau