Messages by Date
-
2013/02/28
[Pw_forum] Technique for converging Ecut and K-points?
Ben Palmer
-
2013/02/28
[Pw_forum] gamma_only problem with bands.x
Surender
-
2013/02/28
[Pw_forum] ph.x and fildrho-file
Sergey Nikolaev
-
2013/02/28
[Pw_forum] Technique for converging Ecut and K-points?
Kucukbenli Emine
-
2013/02/28
[Pw_forum] gamma_only problem with bands.x
Lorenzo Paulatto
-
2013/02/28
[Pw_forum] gamma_only problem with bands.x
Prasenjit Ghosh
-
2013/02/28
[Pw_forum] gamma_only problem with bands.x
Surender
-
2013/02/28
[Pw_forum] ph.x: Avoiding the recalculation of the band structure in distributed phonon dispersion jobs
Karttunen Antti
-
2013/02/27
[Pw_forum] Technique for converging Ecut and K-points?
Nicola Marzari
-
2013/02/27
[Pw_forum] Technique for converging Ecut and K-points?
Ben Palmer
-
2013/02/27
[Pw_forum] coefficients of wavefunctions
John Chan
-
2013/02/27
[Pw_forum] coefficients of wavefunctions
John Chan
-
2013/02/27
[Pw_forum] charge density data in pp.x
Ruibin Liu
-
2013/02/27
[Pw_forum] charge density data in pp.x
Paolo Giannozzi
-
2013/02/27
[Pw_forum] Forces in full LDA+U scheme are not yet implemented
Burak Himmetoglu
-
2013/02/27
[Pw_forum] Technique for converging Ecut and K-points?
Ben Palmer
-
2013/02/27
[Pw_forum] Technique for converging Ecut and K-points?
Nicola Marzari
-
2013/02/27
[Pw_forum] Technique for converging Ecut and K-points?
Ben Palmer
-
2013/02/27
[Pw_forum] Forces in full LDA+U scheme are not yet implemented
Izaak Williamson
-
2013/02/27
[Pw_forum] charge density data in pp.x
Ruibin Liu
-
2013/02/27
[Pw_forum] Confusion about band structure
Giuseppe Mattioli
-
2013/02/27
[Pw_forum] ph.x: Avoiding the recalculation of the band structure in distributed phonon dispersion jobs
Andrea Dal Corso
-
2013/02/27
[Pw_forum] Technique for converging Ecut and K-points?
Ben Palmer
-
2013/02/27
[Pw_forum] ph.x: Avoiding the recalculation of the band structure in distributed phonon dispersion jobs
Karttunen Antti
-
2013/02/27
[Pw_forum] Technique for converging Ecut and K-points?
Stefano de Gironcoli
-
2013/02/27
[Pw_forum] ph.x: Avoiding the recalculation of the band structure in distributed phonon dispersion jobs
Andrea Dal Corso
-
2013/02/27
[Pw_forum] Confusion about band structure
zafar rasheed
-
2013/02/26
[Pw_forum] ph.x: Avoiding the recalculation of the band structure in distributed phonon dispersion jobs
Karttunen Antti
-
2013/02/26
[Pw_forum] Technique for converging Ecut and K-points?
Dmitry Korotin
-
2013/02/26
[Pw_forum] Technique for converging Ecut and K-points?
Ben Palmer
-
2013/02/26
[Pw_forum] charge density data in pp.x
Ruibin Liu
-
2013/02/26
[Pw_forum] Postdoctoral Research Associate Position Opening at BNL
Deyu Lu
-
2013/02/26
[Pw_forum] ev.x with parallel execution
Ali KACHMAR
-
2013/02/26
[Pw_forum] ev.x with parallel execution
Paolo Giannozzi
-
2013/02/26
[Pw_forum] ph.x: Avoiding the recalculation of the band structure in distributed phonon dispersion jobs
Andrea Dal Corso
-
2013/02/26
[Pw_forum] ev.x with parallel execution
Sakhrawi Taoufek
-
2013/02/26
[Pw_forum] Technique for converging Ecut and K-points?
Ben Palmer
-
2013/02/26
[Pw_forum] ph.x: Avoiding the recalculation of the band structure in distributed phonon dispersion jobs
Karttunen Antti
-
2013/02/26
[Pw_forum] Technique for converging Ecut and K-points?
Maxim Popov
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2013/02/25
[Pw_forum] Technique for converging Ecut and K-points?
Ali KACHMAR
-
2013/02/25
[Pw_forum] Question about charged supercell
Mahmoud Payami Shabestari
-
2013/02/25
[Pw_forum] ph.x: Avoiding the recalculation of the band structure in distributed phonon dispersion jobs
Karttunen Antti
-
2013/02/25
[Pw_forum] Question about charged supercell
Mahmoud Payami Shabestari
-
2013/02/25
[Pw_forum] Question about charged supercell
Paolo Giannozzi
-
2013/02/25
[Pw_forum] Question about charged supercell
Mahmoud Payami Shabestari
-
2013/02/25
[Pw_forum] ph.x: Avoiding the recalculation of the band structure in distributed phonon dispersion jobs
Andrea Dal Corso
-
2013/02/25
[Pw_forum] Question about charged supercell
Paolo Giannozzi
-
2013/02/25
[Pw_forum] Question about charged supercell
Paolo Giannozzi
-
2013/02/25
[Pw_forum] Question about charged supercell
Mahmoud Payami Shabestari
-
2013/02/25
[Pw_forum] Technique for converging Ecut and K-points?
Ben Palmer
-
2013/02/25
[Pw_forum] Technique for converging Ecut and K-points?
Paolo Giannozzi
-
2013/02/25
[Pw_forum] Technique for converging Ecut and K-points?
Ben Palmer
-
2013/02/25
[Pw_forum] Question about charged supercell
Nicola Marzari
-
2013/02/25
[Pw_forum] (no subject)
Lorenzo Paulatto
-
2013/02/25
[Pw_forum] (no subject)
Shiva Mokhavat
-
2013/02/25
[Pw_forum] Technique for converging Ecut and K-points?
Stefano de Gironcoli
-
2013/02/25
[Pw_forum] Technique for converging Ecut and K-points?
Stefano de Gironcoli
-
2013/02/25
[Pw_forum] Question about charged supercell
Stefano de Gironcoli
-
2013/02/25
[Pw_forum] "Bad Termination" Error
Paolo Giannozzi
-
2013/02/25
[Pw_forum] Question about charged supercell
Paolo Giannozzi
-
2013/02/25
[Pw_forum] Question about charged supercell
Mahmoud Payami Shabestari
-
2013/02/25
[Pw_forum] Pw_forum Digest, Vol 68, Issue 29
Shamsu Abubakar
-
2013/02/24
[Pw_forum] Question about charged supercell
Prasenjit Ghosh
-
2013/02/24
[Pw_forum] Technique for converging Ecut and K-points?
Ali KACHMAR
-
2013/02/24
[Pw_forum] "Bad Termination" Error
Ali KACHMAR
-
2013/02/23
[Pw_forum] Technique for converging Ecut and K-points?
Ben Palmer
-
2013/02/23
[Pw_forum] Question about charged supercell
Mahmoud Payami Shabestari
-
2013/02/23
[Pw_forum] Question about charged supercell
Mahmoud Payami Shabestari
-
2013/02/22
[Pw_forum] Fwd: pwscf archive engine
Paolo Giannozzi
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2013/02/21
[Pw_forum] "Bad Termination" Error
Angga Fauzi
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2013/02/21
[Pw_forum] Fwd: pwscf archive engine
Axel Kohlmeyer
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2013/02/21
[Pw_forum] Fwd: pwscf archive engine
Natalia Pavlenko
-
2013/02/21
[Pw_forum] Fwd: pwscf archive engine
Ali KACHMAR
-
2013/02/21
[Pw_forum] Reg: phonon
Swetarekha Ram
-
2013/02/21
[Pw_forum] d projections
Giuseppe Mattioli
-
2013/02/21
[Pw_forum] Fwd: pwscf archive engine
Natalia Pavlenko
-
2013/02/21
[Pw_forum] d projections
Sakhrawi Taoufek
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2013/02/21
[Pw_forum] Fwd: pwscf archive engine
Ali Kachmar
-
2013/02/21
[Pw_forum] No access to archive search
Natalia Pavlenko
-
2013/02/20
[Pw_forum] pwscf archive engine
Paolo Giannozzi
-
2013/02/20
[Pw_forum] heat and quench using BO MD
Stefano de Gironcoli
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2013/02/20
[Pw_forum] pwscf archive engine
Ali KACHMAR
-
2013/02/19
[Pw_forum] Disparities between HPC's
Ali KACHMAR
-
2013/02/19
[Pw_forum] heat and quench using BO MD
dev pe
-
2013/02/19
[Pw_forum] charge density with denser grid and wrong cube file
Paolo Giannozzi
-
2013/02/19
[Pw_forum] t2g eg
Matteo Cococcioni
-
2013/02/19
[Pw_forum] t2g eg
Sakhrawi Taoufek
-
2013/02/19
[Pw_forum] Quantum Espresso features questions
David Azevedo
-
2013/02/19
[Pw_forum] charge density with denser grid and wrong cube file
Thomas Gruber
-
2013/02/19
[Pw_forum] phonon density of states calculation of a mono-clinic crystal
Giovanni Pizzi
-
2013/02/18
[Pw_forum] phonon density of states calculation of a mono-clinic crystal
Matthijs Mentink
-
2013/02/18
[Pw_forum] reg: phonon
Swetarekha Ram
-
2013/02/18
[Pw_forum] charge density with denser grid and wrong cube file
Paolo Giannozzi
-
2013/02/18
[Pw_forum] charge density with denser grid and wrong cube file
Thomas Gruber
-
2013/02/18
[Pw_forum] Can we calculate the electron-phonon coupling using the PAW potential?
Wei Zhou
-
2013/02/18
[Pw_forum] Can we calculate the electron-phonon coupling using the PAW potential?
Andrea Dal Corso
-
2013/02/17
[Pw_forum] Can we calculate the electron-phonon coupling using the PAW potential?
Wei Zhou
-
2013/02/17
[Pw_forum] Advanced Linear Response (Especially Phonons)
Paolo Giannozzi
-
2013/02/16
[Pw_forum] la2F
W2AGZ
-
2013/02/16
[Pw_forum] Advanced Linear Response (Especially Phonons)
W2AGZ
-
2013/02/16
[Pw_forum] IOTK Errors and Ifort Compilers
Paolo Giannozzi
-
2013/02/16
[Pw_forum] similar to :cpmd2cube.x -halfmesh -psi WAVEFUNCTION.2
Paolo Giannozzi
-
2013/02/16
[Pw_forum] Disparities between HPC's
Jack Davis
-
2013/02/16
[Pw_forum] Disparities between HPC's
Ali Kachmar
-
2013/02/16
[Pw_forum] IOTK Errors and Ifort Compilers
Ben Palmer
-
2013/02/16
[Pw_forum] Disparities between HPC's
Paolo Giannozzi
-
2013/02/16
[Pw_forum] Disparities between HPC's
Ali KACHMAR
-
2013/02/16
[Pw_forum] Disparities between HPC's
Paolo Giannozzi
-
2013/02/16
[Pw_forum] similar to :cpmd2cube.x -halfmesh -psi WAVEFUNCTION.2
naz...@iasbs.ac.ir
-
2013/02/16
[Pw_forum] similar to :cpmd2cube.x -halfmesh -psi WAVEFUNCTION.2
Axel Kohlmeyer
-
2013/02/16
[Pw_forum] similar to :cpmd2cube.x -halfmesh -psi WAVEFUNCTION.2
naz...@iasbs.ac.ir
-
2013/02/15
[Pw_forum] DMFT Bloch spectral function
Kiss, Ioan
-
2013/02/15
[Pw_forum] local and global minimums in relaxation
Paolo Giannozzi
-
2013/02/15
[Pw_forum] local and global minimums in relaxation
Mike Marchywka
-
2013/02/15
[Pw_forum] (no subject)
Lily Anh
-
2013/02/15
[Pw_forum] Disparities between HPC's
Jack Davis
-
2013/02/15
[Pw_forum] Disparities between HPC's
Paolo Giannozzi
-
2013/02/15
[Pw_forum] local and global minimums in relaxation
Mike Marchywka
-
2013/02/15
[Pw_forum] Disparities between HPC's
Jack Davis
-
2013/02/15
[Pw_forum] local and global minimums in relaxation
Lorenzo Paulatto
-
2013/02/15
[Pw_forum] local and global minimums in relaxation
Paolo Giannozzi
-
2013/02/14
[Pw_forum] local and global minimums in relaxation
Mike Marchywka
-
2013/02/14
[Pw_forum] symmetry not recognized
Jennifer Wohlwend
-
2013/02/14
[Pw_forum] Madelung Energy
Yavar Taghipour Azar
-
2013/02/14
[Pw_forum] phonon density of states calculation of a mono-clinic crystal
Paolo Giannozzi
-
2013/02/14
[Pw_forum] symmetry not recognized
Andrea Dal Corso
-
2013/02/14
[Pw_forum] phonon density of states calculation of a mono-clinic crystal
Giovanni Pizzi
-
2013/02/13
[Pw_forum] phonon density of states calculation of a mono-clinic crystal
Matthijs Mentink
-
2013/02/13
[Pw_forum] Pw_forum post acknowledgement
Feng Tian
-
2013/02/13
[Pw_forum] Madelung Energy
Mahmoud Payami Shabestari
-
2013/02/13
[Pw_forum] Madelung Energy
Ali KACHMAR
-
2013/02/13
[Pw_forum] symmetry not recognized
Jennifer Wohlwend
-
2013/02/13
[Pw_forum] Madelung Energy
Mahmoud Payami Shabestari
-
2013/02/12
[Pw_forum] ph.x: Avoiding the recalculation of the band structure in distributed phonon dispersion jobs
Karttunen Antti
-
2013/02/12
[Pw_forum] ph.x: Avoiding the recalculation of the band structure in distributed phonon dispersion jobs
Lorenzo Paulatto
-
2013/02/12
[Pw_forum] ph.x: Avoiding the recalculation of the band structure in distributed phonon dispersion jobs
Paolo Giannozzi
-
2013/02/12
[Pw_forum] Madelung Energy
Yavar Taghipour Azar
-
2013/02/12
[Pw_forum] Error compiling GIPAW
Mauro Sgroi
-
2013/02/12
[Pw_forum] Error compiling GIPAW
Paolo Giannozzi
-
2013/02/12
[Pw_forum] Error compiling GIPAW
Mauro Sgroi
-
2013/02/12
[Pw_forum] Error compiling GIPAW
Paolo Giannozzi
-
2013/02/12
[Pw_forum] Error compiling GIPAW
Mauro Sgroi
-
2013/02/12
[Pw_forum] Error compiling GIPAW
Mauro Sgroi
-
2013/02/12
[Pw_forum] calculate the XANES in absolute energy scale using QE
Giuseppe Mattioli
-
2013/02/11
[Pw_forum] IOTK Errors and Ifort Compilers
Ben Palmer
-
2013/02/11
[Pw_forum] calculate the XANES in absolute energy scale using QE
Feng Tian
-
2013/02/11
[Pw_forum] IOTK Errors and Ifort Compilers
Paolo Giannozzi
-
2013/02/11
[Pw_forum] ph.x: Avoiding the recalculation of the band structure in distributed phonon dispersion jobs
Karttunen Antti
-
2013/02/11
[Pw_forum] IOTK Errors and Ifort Compilers
Ben Palmer
-
2013/02/11
[Pw_forum] About HSE calculations
Layla Martin-Samos
-
2013/02/11
[Pw_forum] Error with neb.x
Ali KACHMAR
-
2013/02/10
[Pw_forum] Reading from standard input freeze on Mac Os X
Dmitry Korotin
-
2013/02/10
[Pw_forum] Error with neb.x
Mauro Sgroi
-
2013/02/10
[Pw_forum] Error with neb.x
Mauro Sgroi
-
2013/02/10
[Pw_forum] Disparities between HPC's
Ben Palmer
-
2013/02/09
[Pw_forum] About HSE calculations
Paolo Giannozzi
-
2013/02/09
[Pw_forum] Error with neb.x
Paolo Giannozzi
-
2013/02/08
[Pw_forum] Reading from standard input freeze on Mac Os X
Paolo Giannozzi
-
2013/02/08
[Pw_forum] About HSE calculations
Marcos VerĂssimo Alves
-
2013/02/08
[Pw_forum] Reading from standard input freeze on Mac Os X
Ali KACHMAR
-
2013/02/08
[Pw_forum] Error with neb.x
Ali KACHMAR
-
2013/02/08
[Pw_forum] Reading from standard input freeze on Mac Os X
Dmitry Korotin
-
2013/02/08
[Pw_forum] Error with neb.x
Ali KACHMAR
-
2013/02/08
[Pw_forum] Error with neb.x
Mauro Sgroi
-
2013/02/08
[Pw_forum] About HSE calculations
Paolo Giannozzi
-
2013/02/08
[Pw_forum] About HSE calculations
Marcos VerĂssimo Alves
-
2013/02/08
[Pw_forum] Calculation of the dielectric tensor for PAW+Spin-Orbit (non-magnetic)
Andrea Dal Corso
-
2013/02/08
[Pw_forum] Calculation of the dielectric tensor for PAW+Spin-Orbit (non-magnetic)
H. Lee
-
2013/02/08
[Pw_forum] error in make pw, after rev. 9674
Marco Govoni
-
2013/02/07
[Pw_forum] MD simulation temperature
Ali KACHMAR
-
2013/02/07
[Pw_forum] MD simulation temperature
niladri patra
-
2013/02/07
[Pw_forum] MD simulation temperature
Ali KACHMAR
-
2013/02/07
[Pw_forum] MD simulation temperature
niladri patra
-
2013/02/07
[Pw_forum] 3D band structure
zahra vatankhah
-
2013/02/07
[Pw_forum] Disparities between HPC's
Lorenzo Paulatto
-
2013/02/07
[Pw_forum] Disparities between HPC's
Kucukbenli Emine
-
2013/02/07
[Pw_forum] Disparities between HPC's
Paolo Giannozzi
-
2013/02/07
[Pw_forum] Disparities between HPC's
Jack Davis
-
2013/02/06
[Pw_forum] error in make pw, after rev. 9674
Paolo Giannozzi
-
2013/02/06
[Pw_forum] question on parallelism options and scaling factor
pascal boulet
-
2013/02/06
[Pw_forum] error in make pw, after rev. 9674
Marco Govoni
-
2013/02/06
[Pw_forum] error in make pw, after rev. 9674
Marco Govoni
-
2013/02/06
[Pw_forum] error in make pw, after rev. 9674
Lorenzo Paulatto
-
2013/02/06
[Pw_forum] error in make pw, after rev. 9674
Paolo Giannozzi
-
2013/02/06
[Pw_forum] error in make pw, after rev. 9674
Simon Binnie
-
2013/02/06
[Pw_forum] Disparities between HPC's
Paolo Giannozzi
-
2013/02/06
[Pw_forum] error in make pw, after rev. 9674
Marco Govoni
-
2013/02/06
[Pw_forum] Disparities between HPC's
Jack Davis
-
2013/02/06
[Pw_forum] Workfunction in STM calculation
andr...@physics.rutgers.edu
-
2013/02/06
[Pw_forum] Zero point energy correction for energy barrier calculation
mohnish pandey
-
2013/02/06
[Pw_forum] Workfunction in STM calculation
Gabriele Sclauzero
-
2013/02/06
[Pw_forum] question on parallelism options and scaling factor
pascal boulet
-
2013/02/06
[Pw_forum] Problem with pseudo-potential Pt.pbe-n-van.UPF
Paolo Giannozzi
-
2013/02/06
[Pw_forum] question on parallelism options and scaling factor
Giovanni Pizzi
-
2013/02/06
[Pw_forum] question on parallelism options and scaling factor
Paolo Giannozzi
-
2013/02/06
[Pw_forum] Workfunction in STM calculation
Paolo Giannozzi
-
2013/02/06
[Pw_forum] Workfunction in STM calculation
Gabriele Sclauzero
-
2013/02/05
[Pw_forum] Does dens grid contain the whole carse grid in calculation of EPI?
whwaniphy
-
2013/02/05
[Pw_forum] Zero point energy correction for energy barrier calculation
Pallavi Bothra
-
2013/02/05
[Pw_forum] Workfunction in STM calculation
Ali KACHMAR