April 2012 Archives by date
Starting: Sun Apr 1 20:04:50 CEST 2012
Ending: Mon Apr 30 21:04:21 CEST 2012
Messages: 217
- [Pw_forum] pseudopotential for silver
Никита Вакула
- [Pw_forum] problem in generating pseudopotential
Lorenzo Paulatto
- [Pw_forum] electrostatic potential in CP calculation
jia chen
- [Pw_forum] electrostatic potential in CP calculation
Paolo Giannozzi
- [Pw_forum] pseudopotential for silver
Paolo Giannozzi
- [Pw_forum] (no subject)
Amir hosseini
- [Pw_forum] How to plot the potential curve during pseudopotential generation?
陶鹏
- [Pw_forum] How to plot the potential curve during pseudopotential generation?
GAO Zhe
- [Pw_forum] How to plot the potential curve during pseudopotential generation?
Lorenzo Paulatto
- [Pw_forum] How to plot the potential curve during pseudopotential generation?
陶鹏
- [Pw_forum] How to plot the potential curve during pseudopotential generation?
Lorenzo Paulatto
- [Pw_forum] Is it possible for all-electron calculation on anions with ld1.x?
陶鹏
- [Pw_forum] Is it possible for all-electron calculation on anions with ld1.x?
Nicola Marzari
- [Pw_forum] Is it possible for all-electron calculation on anions with ld1.x?
陶鹏
- [Pw_forum] Is it possible for all-electron calculation on anions with ld1.x?
Nicola Marzari
- [Pw_forum] Is it possible for all-electron calculation on anions with ld1.x?
Paolo Giannozzi
- [Pw_forum] Re
susanta tripathy
- [Pw_forum] Potassium Ultrasoft pseudopotential with PBE
李斌
- [Pw_forum] Extractring wavefunctions from complex band calculation
Pavel V. Akulov
- [Pw_forum] loop and GGA
Hua Pan
- [Pw_forum] loop and GGA
Hua Pan
- [Pw_forum] band calculation
Maryam Jamali
- [Pw_forum] made nanowire
samad zare
- [Pw_forum] help on convergence
bamidele ibrahim
- [Pw_forum] convergence for lattice parameter
funmi ayedun
- [Pw_forum] made nanowire
Axel Kohlmeyer
- [Pw_forum] convergence for lattice parameter
Giovani Faccin
- [Pw_forum] help on convergence
Axel Kohlmeyer
- [Pw_forum] Phonon frequency
henry odhiambo
- [Pw_forum] Phonon frequency
Axel Kohlmeyer
- [Pw_forum] help on convergence
GAO Zhe
- [Pw_forum] ekphon q-points and kpoint.x mesh does not match
bahadir
- [Pw_forum] Pw_forum Digest, Vol 58, Issue 9
merilege at gmail.com
- [Pw_forum] Error in running the pwcond.x
pankaj sahota
- [Pw_forum] Error in running the pwcond.x
pankaj sahota
- [Pw_forum] Ba pseudopotential for spin-orbit calculations
Eduardo Ariel Menendez Proupin
- [Pw_forum] problem with average.x (average potential) calculation
Tram Bui
- [Pw_forum] GW
Mansoureh Pashangpour
- [Pw_forum] xcrysden
Abolore Musari
- [Pw_forum] ph.x on BG/P: does not seem to be functional
Latévi Max LAWSON DAKU
- [Pw_forum] ph.x on BG/P: does not seem to be functional
Latévi Max LAWSON DAKU
- [Pw_forum] ph.x on BG/P: does not seem to be functional
Paolo Giannozzi
- [Pw_forum] problem with average.x (average potential) calculation
Paolo Giannozzi
- [Pw_forum] Error in running the pwcond.x
Paolo Giannozzi
- [Pw_forum] How to parallelize phonons
William Parker
- [Pw_forum] ph.x on BG/P: does not seem to be functional
Latévi Max LAWSON DAKU
- [Pw_forum] problems modeling H2 adsorption on boron doped graphene sheet
Janet Wong
- [Pw_forum] Query on band crossing
Ajit Vallabhaneni
- [Pw_forum] Querry abou the kpoints in transport calculations
pankaj sahota
- [Pw_forum] Query on band crossing
Nicola Marzari
- [Pw_forum] Potassium Ultrasoft pseudopotential with PBE
Guido Fratesi
- [Pw_forum] relativitic pseudopotential for Bi, PZ approximation
ramzi alaya
- [Pw_forum] relativitic pseudopotential for Bi, PZ approximation
Peng Tao
- [Pw_forum] relativitic pseudopotential for Bi, PZ approximation
Axel Kohlmeyer
- [Pw_forum] relativitic pseudopotential for Bi, PZ approximation
Nicola Marzari
- [Pw_forum] relativitic pseudopotential for Bi, PZ approximation
Peng Tao
- [Pw_forum] relativitic pseudopotential for Bi, PZ approximation
Stefano de Gironcoli
- [Pw_forum] Any Norm-conserved PP database for Pwscf?
Sheleon Zhang
- [Pw_forum] relativitic pseudopotential for Bi, PZ approximation
Nicola Marzari
- [Pw_forum] Any Norm-conserved PP database for Pwscf?
GAO Zhe
- [Pw_forum] relativitic pseudopotential for Bi, PZ approximation
Paolo Giannozzi
- [Pw_forum] Any Norm-conserved PP database for Pwscf?
Paolo Giannozzi
- [Pw_forum] pp.x problem and doubts related to the point keyword
Davide Tiana
- [Pw_forum] relativitic pseudopotential for Bi, PZ approximation
Peng Tao
- [Pw_forum] Any Norm-conserved PP database for Pwscf?
Lorenzo Paulatto
- [Pw_forum] Serial Diagonalization
Paul Jennings
- [Pw_forum] Any Norm-conserved PP database for Pwscf?
GAO Zhe
- [Pw_forum] pp.x problem and doubts related to the point keyword
Giuseppe Mattioli
- [Pw_forum] hybrid phonons
Giuseppe Mattioli
- [Pw_forum] Force criteria for relaxation
Payam Norouzzadeh
- [Pw_forum] Force criteria for relaxation
Guido Fratesi
- [Pw_forum] PWgui utility
Sohail Ahmad
- [Pw_forum] Serial Diagonalization
Paolo Giannozzi
- [Pw_forum] ecutrho in phonon calculations
YY
- [Pw_forum] error in average.x calculation
Tram Bui
- [Pw_forum] Force criteria for relaxation
Payam Norouzzadeh
- [Pw_forum] offset in QE 4.2 and QE 4.3
Hanghui Chen
- [Pw_forum] Force criteria for relaxation
Guido Fratesi
- [Pw_forum] error in average.x calculation
Paolo Giannozzi
- [Pw_forum] hybrid phonons
Layla Martin-Samos
- [Pw_forum] Query on band crossing
Ajit Vallabhaneni
- [Pw_forum] Phonon LO-TO splitting in semiconductor with smearing
Hans Lind
- [Pw_forum] Serial Diagonalization
Paul Jennings
- [Pw_forum] Serial Diagonalization
Paolo Giannozzi
- [Pw_forum] Query on band crossing
Paolo Giannozzi
- [Pw_forum] Querry abou the kpoints in transport calculations
Gabriele Sclauzero
- [Pw_forum] (no subject)
debbichi mourad
- [Pw_forum] (no subject)
Paolo Giannozzi
- [Pw_forum] offset in QE 4.2 and QE 4.3
Paolo Giannozzi
- [Pw_forum] Phonon LO-TO splitting in semiconductor with smearing
Hans Lind
- [Pw_forum] Tunneling density of states using pwcond
Jonathan Trinastic
- [Pw_forum] Phonon LO-TO splitting in semiconductor with smearing
Nicola Marzari
- [Pw_forum] visualizing results of molecular dynamics using XCRYSDEN
Elie M
- [Pw_forum] problem regrading convergence
bramha pandey
- [Pw_forum] problem regrading convergence
Layla Martin-Samos
- [Pw_forum] problem regrading convergence
Lorenzo Paulatto
- [Pw_forum] vizualizing the molecular dynamics of graphene
Elie M
- [Pw_forum] freeing memory after end of pw.x calculation
Marcos Veríssimo Alves
- [Pw_forum] freeing memory after end of pw.x calculation
Lorenzo Paulatto
- [Pw_forum] freeing memory after end of pw.x calculation
Marcos Veríssimo Alves
- [Pw_forum] freeing memory after end of pw.x calculation
Marcos Veríssimo Alves
- [Pw_forum] two program logic questions in TDDFPT
kuilin lu
- [Pw_forum] Tunneling density of states using pwcond
Alex Smogunov
- [Pw_forum] ecutrho in phonon calculations
Paolo Giannozzi
- [Pw_forum] PWgui utility
Paolo Giannozzi
- [Pw_forum] visualizing results of molecular dynamics using XCRYSDEN
Tone Kokalj
- [Pw_forum] problem regrading convergence
bramha pandey
- [Pw_forum] problems modeling H2 adsorption on boron doped graphene sheet
Paolo Giannozzi
- [Pw_forum] neb.x and -ndiag option
Giuseppe Mattioli
- [Pw_forum] neb.x and -ndiag option
Paolo Giannozzi
- [Pw_forum] neb.x and -ndiag option
Giuseppe Mattioli
- [Pw_forum] neb.x and -ndiag option
Axel Kohlmeyer
- [Pw_forum] phonon dynamical matrix and eigenvectors
Bo Qiu
- [Pw_forum] forming supercell for a (10, 0) nanotube attached to polymers and oligomers
Elie M
- [Pw_forum] neb.x and -ndiag option
Layla Martin-Samos
- [Pw_forum] two program logic questions in TDDFPT
Simon Binnie
- [Pw_forum] DLASCL error on some architectures/QE versions
Rodrigo Neumann
- [Pw_forum] Regarding GAMMA kpoint
bramha pandey
- [Pw_forum] forming a supercell for a (10, 0) nanotube attached to a polymer
Elie M
- [Pw_forum] forming a supercell for a (10, 0) nanotube attached to a polymer
Axel Kohlmeyer
- [Pw_forum] serial or parallel computation in electron-phonon matrix integration
Junhyeok Bang
- [Pw_forum] forming a supercell for a (10, 0) nanotube attached to a polymer
Elie M
- [Pw_forum] forming a supercell for a (10, 0) nanotube attached to a polymer
Axel Kohlmeyer
- [Pw_forum] forming a supercell for a (10, 0) nanotube attached to a polymer
Elie M
- [Pw_forum] Quantum Espresso Workshop (Jun 25 - Jun 29 /2012, Penn State Univ., PA, USA)
Paolo Giannozzi
- [Pw_forum] serial or parallel computation in electron-phonon matrix integration
Paolo Giannozzi
- [Pw_forum] (no subject)
debbichi mourad
- [Pw_forum] epsilon.x
debbichi mourad
- [Pw_forum] epsilon.x
Layla Martin-Samos
- [Pw_forum] Fwd: epsilon.x
Layla Martin-Samos
- [Pw_forum] bismuth fully relativistic pseudopotential needed
陈建勇
- [Pw_forum] piezoelectric
Amir hosseini
- [Pw_forum] Error in getting the transmission while doing the transport calculation
pankaj sahota
- [Pw_forum] supercell in matdyn.x
babr aram
- [Pw_forum] two program logic questions in TDDFPT
kuilin lu
- [Pw_forum] bismuth fully relativistic pseudopotential needed
GAO Zhe
- [Pw_forum] (no subject)
Said Asma
- [Pw_forum] (no subject)
Layla Martin-Samos
- [Pw_forum] Re : Band gap of BN (zinc blende)
Said Asma
- [Pw_forum] ecutrho in phonon calculations
YY
- [Pw_forum] ecutrho in phonon calculations
elbuesta at icqmail.com
- [Pw_forum] About the size of electrode
pankaj sahota
- [Pw_forum] lambda(omega)
bahadir
- [Pw_forum] lambda(omega)
bahadir
- [Pw_forum] supercell in matdyn.x
Paolo Giannozzi
- [Pw_forum] Quantum Espresso Workshop (Jun 25 - Jun 29 /2012, Penn State Univ., PA, USA)
Paolo Giannozzi
- [Pw_forum] lambda(omega)
Paolo Giannozzi
- [Pw_forum] phonon dynamical matrix and eigenvectors
Paolo Giannozzi
- [Pw_forum] lambda(omega)
bahadir
- [Pw_forum] regarding problem in bands structure calculation
jagaran Acharya
- [Pw_forum] About the size of electrode
Alex Smogunov
- [Pw_forum] regarding problem in bands structure calculation
Paolo Giannozzi
- [Pw_forum] How to get atomic positions for TiO2
Olayinka, Samson A.
- [Pw_forum] How to get atomic positions for TiO2
Lorenzo Paulatto
- [Pw_forum] Error band structure
Said Asma
- [Pw_forum] on the way of approximating a large slab
Yavar Taghipour Azar
- [Pw_forum] on the way of approximating a large slab
Guido Fratesi
- [Pw_forum] error in volume calculation in ibrav=7
bramha pandey
- [Pw_forum] error in volume calculation in ibrav=7
Guido Fratesi
- [Pw_forum] Pw_forum Digest, Vol 58, Issue 33
YY
- [Pw_forum] Re : Band gap of BN (zinc blende)
Layla Martin-Samos
- [Pw_forum] Problem in vc-relax, radial FFT
Ali ALLAM
- [Pw_forum] Problem in vc-relax, radial FFT
Maxim Popov
- [Pw_forum] Problem in vc-relax, radial FFT
Lorenzo Paulatto
- [Pw_forum] LDA+U with phonon
Sanjeev Gupta
- [Pw_forum] LDA+U with phonon
Layla Martin-Samos
- [Pw_forum] Fe pseudopotential (pslibrary) test failed
Peng Chen
- [Pw_forum] Fe pseudopotential (pslibrary) test failed
Paolo Giannozzi
- [Pw_forum] Fe pseudopotential (pslibrary) test failed
Andrea Dal Corso
- [Pw_forum] Home page: problem to load
Pedro Augusto F. P. Moreira
- [Pw_forum] on the way of approximating a large slab
Yavar Taghipour Azar
- [Pw_forum] mp vs mv
Farzad Molani
- [Pw_forum] mp vs mv
Nicola Marzari
- [Pw_forum] mp vs mv
Farzad Molani
- [Pw_forum] XSPECTRA calculations of molecules
Giuseppe Mattioli
- [Pw_forum] mp vs mv
Axel Kohlmeyer
- [Pw_forum] Home page: problem to load
Giovani Faccin
- [Pw_forum] Fw: Re: mp vs mv
Farzad Molani
- [Pw_forum] Testing subscription
R.C.Pasianot
- [Pw_forum] Home page: problem to load
Pedro Augusto F. P. Moreira
- [Pw_forum] using Octave or GDIS to make the surface
meghdad saeedian
- [Pw_forum] using Octave or GDIS to make the surface
m
- [Pw_forum] Testing subscription
Layla Martin-Samos
- [Pw_forum] using Octave or GDIS to make the surface
meghdad saeedian
- [Pw_forum] query on kpoints.x
Ajit Vallabhaneni
- [Pw_forum] Contents of Pw_forum Digest, Vol 58, Issue 41Re: using Octave or GDIS to make the surface (m)
Davide Tiana
- [Pw_forum] Error band structure
Said Asma
- [Pw_forum] Error band structure
Stefano de Gironcoli
- [Pw_forum] Error in running the scf calculation with espresso-4.2
pankaj sahota
- [Pw_forum] hse performance
kazempoor at ph.iut.ac.ir
- [Pw_forum] hse performance
ali kazempour
- [Pw_forum] Error in running the scf calculation with espresso-4.2
Paolo Giannozzi
- [Pw_forum] convergence NOT achieved after 100 iterations: stopping
Cao TF
- [Pw_forum] convergence NOT achieved after 100 iterations: stopping
Shruba Gangopadhyay
- [Pw_forum] k-point
bf azi
- [Pw_forum] convergence NOT achieved after 100 iterations: stopping
Paolo Giannozzi
- [Pw_forum] query on kpoints.x
Paolo Giannozzi
- [Pw_forum] convergence NOT achieved after 100 iterations: stopping
GAO Zhe
- [Pw_forum] convergence NOT achieved after 100 iterations --- related question
Hande Ustunel
- [Pw_forum] convergence NOT achieved after 100 iterations --- related question
Nicola Marzari
- [Pw_forum] convergence NOT achieved after 100 iterations --- related question
Hande Ustunel
- [Pw_forum] pw bands calculation crash
Davide Tiana
- [Pw_forum] convergence not achieved .related problem
m rostami
- [Pw_forum] pw bands calculation crash
Paolo Giannozzi
- [Pw_forum] question report
孟祥颖
- [Pw_forum] Error band structure
Peng Tao
- [Pw_forum] absorption
bf azi
- [Pw_forum] optical properties
bhabya sahoo
- [Pw_forum] optical properties (bhabya sahoo)
Eduardo Ariel Menendez Proupin
- [Pw_forum] Input help
matt reish
- [Pw_forum] Input help
Paolo Giannozzi
- [Pw_forum] download MD Slides from QE website?
Sonu Kumar
- [Pw_forum] download MD Slides from QE website?
Paolo Giannozzi
- [Pw_forum] Input help
Simon Binnie
- [Pw_forum] Input preparation
Vasumathi Velachi
- [Pw_forum] download MD Slides from QE website?
Sonu Kumar
- [Pw_forum] problems in generating pseudopotentials
mohamed makhyoun
Last message date:
Mon Apr 30 21:04:21 CEST 2012
Archived on: Mon Apr 30 21:04:27 CEST 2012
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