March 2011 Archives by subject
Starting: Tue Mar 1 04:55:51 CET 2011
Ending: Thu Mar 31 23:46:51 CEST 2011
Messages: 339
- [Pw_forum] (no subject)
peyman amiri
- [Pw_forum] (no subject)
ali kazempour
- [Pw_forum] 4.3b at sp.sp6.cineca.it
balducci at univ.trieste.it
- [Pw_forum] 4.3b at sp.sp6.cineca.it
Paolo Giannozzi
- [Pw_forum] about the degaussq in the calcualtion of phonon coupling
Wei Zhou
- [Pw_forum] about the degaussq in the calcualtion of phonon coupling
Eyvaz Isaev
- [Pw_forum] about the degaussq in the calcualtion of phonon coupling
Wei Zhou
- [Pw_forum] about the lambda and the int alpha2F
Wei Zhou
- [Pw_forum] about the lambda and the int alpha2F
Eyvaz Isaev
- [Pw_forum] about the lambda and the int alpha2F
Wei Zhou
- [Pw_forum] about the lambda and the int alpha2F
Wei Zhou
- [Pw_forum] Adding an email
Alexander G. Kvashnin
- [Pw_forum] Adding an email
Gabriele Sclauzero
- [Pw_forum] A small bug of QE when nat >= 100, and the solution
lfhuang
- [Pw_forum] A small bug of QE when nat >= 100, and the solution
Paolo Giannozzi
- [Pw_forum] A small bug of QE when nat >= 100, and the solution
lfhuang
- [Pw_forum] A small bug of QE when nat >= 100, and the solution
Paolo Giannozzi
- [Pw_forum] A small bug of QE when nat >= 100, and the solution
lfhuang
- [Pw_forum] A small bug of QE when nat >= 100, and the solution
Paolo Giannozzi
- [Pw_forum] A small bug of QE when nat >= 100, and the solution
Nicola Marzari
- [Pw_forum] A small bug of QE when nat >= 100, and the solution
juan sotelo
- [Pw_forum] A small bug of QE when nat >= 100, and the solution
Gabriele Sclauzero
- [Pw_forum] A small bug of QE when nat >= 100, and the solution
juan sotelo
- [Pw_forum] atomic position in vc-relax CPMD
Riping WANG
- [Pw_forum] atomic position in vc-relax CPMD
Paolo Giannozzi
- [Pw_forum] atomic positions
Abolore Musari
- [Pw_forum] atomic positions
Stefano de Gironcoli
- [Pw_forum] atomic positions
Eric Germaneau
- [Pw_forum] atomic positions in xsf from cppp.x
Riping WANG
- [Pw_forum] atomic positions in xsf from cppp.x
Paolo Giannozzi
- [Pw_forum] atomic positions in xsf from cppp.x
Giovanni La Penna
- [Pw_forum] Bi pseudopotential
Sven Heiles
- [Pw_forum] Bi pseudopotential
Sven Heiles
- [Pw_forum] Born effective charges in spin polarized systems
Davide Sangalli
- [Pw_forum] Born effective charges in spin polarized systems
Srijan Kumar Saha
- [Pw_forum] Born effective charges in spin polarized systems
Davide Sangalli
- [Pw_forum] Bravais lattices & matrix of cell parameters
Eric Germaneau
- [Pw_forum] Bug report: Segmentation Fault while vc-relax
小S
- [Pw_forum] Bug report: Segmentation Fault while vc-relax
Paolo Giannozzi
- [Pw_forum] calculate third-order derivative of energy by D3
Mingxing Chen
- [Pw_forum] Calculational equation of PDOS
xirainbow
- [Pw_forum] Calculational equation of PDOS
Gabriele Sclauzero
- [Pw_forum] calculation wouldn't run using espresso-4.2.1 but did run with espresso-4.1.3
Tram Bui
- [Pw_forum] calculation wouldn't run using espresso-4.2.1 but did run with espresso-4.1.3
Tram Bui
- [Pw_forum] calculation wouldn't run using espresso-4.2.1 but did run with espresso-4.1.3
Duy Le
- [Pw_forum] calculation wouldn't run using espresso-4.2.1 but did run with espresso-4.1.3
Paolo Giannozzi
- [Pw_forum] calculation wouldn't run using espresso-4.2.1 but did run with espresso-4.1.3
Paolo Giannozzi
- [Pw_forum] compiling QE 4.3a
Alain Allouche
- [Pw_forum] compiling QE 4.3a
Paolo Giannozzi
- [Pw_forum] Conservation of spin on oxygen adsorption
mohnish pandey
- [Pw_forum] Conservation of spin on oxygen adsorption
Paolo Giannozzi
- [Pw_forum] constrained cell optimization
Paolo Giannozzi
- [Pw_forum] constrained cell optimization
Eric Germaneau
- [Pw_forum] constrained cell optimization
Eric Germaneau
- [Pw_forum] core radius of pseudopotential for which matches real wave function
mike at.
- [Pw_forum] core radius of pseudopotential for which matches real wave function
Eyvaz Isaev
- [Pw_forum] core radius of pseudopotential for which matches real wave function
Paolo Giannozzi
- [Pw_forum] core radius of pseudopotential for which matches real wave function
mike at.
- [Pw_forum] core radius of pseudopotential for which matches real wave function
Paolo Giannozzi
- [Pw_forum] Coverting PDOS from JM basis (spin-orbit, non-colinear case) to LS basis
saqib.javaid at ipcms.u-strasbg.fr
- [Pw_forum] CVS Version download link
Madan Mithra. L. M
- [Pw_forum] CVS Version download link
Changru Ma
- [Pw_forum] CVS Version download link
Paolo Giannozzi
- [Pw_forum] DOS: tetrahedron method + spin-orbit coupling
Iurii TIMROV
- [Pw_forum] DOS: tetrahedron method + spin-orbit coupling
Paolo Giannozzi
- [Pw_forum] DOS: tetrahedron method + spin-orbit coupling
Iurii TIMROV
- [Pw_forum] DOS: tetrahedron method + spin-orbit coupling
Paolo Giannozzi
- [Pw_forum] DOS: tetrahedron method + spin-orbit coupling
Iurii TIMROV
- [Pw_forum] DOS: tetrahedron method + spin-orbit coupling
Paolo Giannozzi
- [Pw_forum] Doubt in Curie temperature value
Padmaja Patnaik
- [Pw_forum] Doubt in Curie temperature value
Paolo Giannozzi
- [Pw_forum] Doubt in Curie temperature value
Cyrille Barreteau
- [Pw_forum] Doubt in Curie temperature value
Mighfar Imam
- [Pw_forum] Doubt in Curie temperature value
German Samolyuk
- [Pw_forum] ecfixed makes the volume different?
Riping WANG
- [Pw_forum] emaxpos
vinoth r
- [Pw_forum] Error in phonon calculation using matdyn.x
mayank gupta
- [Pw_forum] Error in phonon calculation using matdyn.x
Eyvaz Isaev
- [Pw_forum] Error in phonon calculation using matdyn.x
Stefano de Gironcoli
- [Pw_forum] Error in running bands.x
Alexander G. Kvashnin
- [Pw_forum] Error in running bands.x
Alexander G. Kvashnin
- [Pw_forum] error in the Raman calculation
Wang Di
- [Pw_forum] error in the Raman calculation
Paolo Giannozzi
- [Pw_forum] error in the Raman calculation
lfhuang
- [Pw_forum] error in the Raman calculation
Wang Di
- [Pw_forum] error in the Raman calculation
Paolo Giannozzi
- [Pw_forum] error in the Raman calculation
Wang Di
- [Pw_forum] error in the Raman calculation
lfhuang
- [Pw_forum] error in the Raman calculation
Wang Di
- [Pw_forum] Fixing starting starting_ns_eigenvalue
Giovani Faccin
- [Pw_forum] Fixing starting starting_ns_eigenvalue
Gabriele Sclauzero
- [Pw_forum] Fixing starting starting_ns_eigenvalue
Giovani Faccin
- [Pw_forum] Fixing starting starting_ns_eigenvalue
Stefano de Gironcoli
- [Pw_forum] For help about Quantum Espresso
Liwei Geng
- [Pw_forum] For help about Quantum Espresso
Nicola Marzari
- [Pw_forum] Fwd: compiling QE 4.3a
Layla Martin-Samos
- [Pw_forum] Fwd: compiling QE 4.3a
Alain Allouche
- [Pw_forum] geometry optiiztion of metal clusters
Wohlwend, Jennifer L CTR USAF AFMC AFRL/RXBT
- [Pw_forum] geometry optiiztion of metal clusters
jia chen
- [Pw_forum] geometry optiiztion of metal clusters
Martin Andersson
- [Pw_forum] geometry optiiztion of metal clusters
Arles V. Gil Rebaza
- [Pw_forum] gfortran-4.6.0 and 4.3b
balducci at univ.trieste.it
- [Pw_forum] gfortran-4.6.0 and 4.3b
Paolo Giannozzi
- [Pw_forum] GIPAW fails for large system
Paweł Rejmak
- [Pw_forum] GIPAW fails for large system
Emine Kucukbenli
- [Pw_forum] graphene's band gap
xirainbow
- [Pw_forum] graphene's band gap
Mehmet Topsakal
- [Pw_forum] graphene's band gap
Eric Germaneau
- [Pw_forum] graphene's band gap
Duy Le
- [Pw_forum] graphene's band gap
Eric Germaneau
- [Pw_forum] graphene's band gap
Eric Germaneau
- [Pw_forum] graphite cell optimization failed
xirainbow
- [Pw_forum] graphite cell optimization failed
Cyrille Barreteau
- [Pw_forum] graphite cell optimization failed
giuseppe.mattioli at mlib.ism.cnr.it
- [Pw_forum] graphite cell optimization failed
Gabriele Sclauzero
- [Pw_forum] graphite cell optimization failed
Lorenzo Paulatto
- [Pw_forum] graphite cell optimization failed
giuseppe.mattioli at mlib.ism.cnr.it
- [Pw_forum] graphite cell optimization failed
Gabriele Sclauzero
- [Pw_forum] graphite cell optimization failed
Daniel Forrer
- [Pw_forum] graphite cell optimization failed
Derek Stewart
- [Pw_forum] graphite cell optimization failed
Nicola Marzari
- [Pw_forum] graphite cell optimization failed
Mehmet Topsakal
- [Pw_forum] graphite cell optimization failed
Eric Germaneau
- [Pw_forum] graphite cell optimization failed
Chenghua Sun
- [Pw_forum] graphite cell optimization failed
Nicola Marzari
- [Pw_forum] graphite cell optimization failed
Chenghua Sun
- [Pw_forum] graphite cell optimization failed
Mehmet Topsakal
- [Pw_forum] graphite cell optimization failed
Paolo Giannozzi
- [Pw_forum] graphite cell optimization failed
Alain Allouche
- [Pw_forum] graphite cell optimization failed
Eric Germaneau
- [Pw_forum] graphite cell optimization failed
Eric Germaneau
- [Pw_forum] graphite cell optimization failed
Paolo Giannozzi
- [Pw_forum] graphite cell optimization failed
Paolo Giannozzi
- [Pw_forum] graphite cell optimization failed
Eric Germaneau
- [Pw_forum] graphite cell optimization failed
Eric Germaneau
- [Pw_forum] graphite cell optimization failed
Eric Germaneau
- [Pw_forum] graphite cell optimization failed
Paolo Giannozzi
- [Pw_forum] graphite cell optimization failed
Gabriele Sclauzero
- [Pw_forum] graphite cell optimization failed
Paolo Giannozzi
- [Pw_forum] graphite cell optimization failed
Paolo Giannozzi
- [Pw_forum] graphite cell optimization failed
Eric Germaneau
- [Pw_forum] graphite cell optimization failed
Eric Germaneau
- [Pw_forum] Help for Calculating Organic Crystal Band Structure
ANUP THOMAS
- [Pw_forum] Help for Calculating Organic Crystal Band Structure
xirainbow
- [Pw_forum] Help for Calculating Organic Crystal Band Structure
Paolo Giannozzi
- [Pw_forum] Help for Calculating Organic Crystal Band Structure (ANUP THOMAS)
Thiago Guerra
- [Pw_forum] How to read two wave-functions in one program?
xuhui luo
- [Pw_forum] How to read two wave-functions in one program?
Paolo Giannozzi
- [Pw_forum] How to read two wave-functions in one program?
xuhui luo
- [Pw_forum] How to read two wave-functions in one program?
Paolo Giannozzi
- [Pw_forum] how to test if a generated file of pseudopotential is working or not
Tram Bui
- [Pw_forum] how to test if a generated file of pseudopotential is working or not
Giovani Faccin
- [Pw_forum] how to test if a generated file of pseudopotential is working or not
Gabriele Sclauzero
- [Pw_forum] I/O performance on BG/P systems
Gabriele Sclauzero
- [Pw_forum] I/O performance on BG/P systems
Paolo Giannozzi
- [Pw_forum] I/O performance on BG/P systems
Gabriele Sclauzero
- [Pw_forum] I/O performance on BG/P systems
Paolo Giannozzi
- [Pw_forum] I/O performance on BG/P systems
Gabriele Sclauzero
- [Pw_forum] I/O performance on BG/P systems
Paolo Giannozzi
- [Pw_forum] interpreting fermi level in smearing scenario
pari shok
- [Pw_forum] Invitation to connect on LinkedIn
Cecil Ouma via LinkedIn
- [Pw_forum] Ionic forces not reducing
Christopher O'Brien
- [Pw_forum] Ionic forces not reducing
Gabriele Sclauzero
- [Pw_forum] Ionic forces not reducing
Paolo Giannozzi
- [Pw_forum] Is it possible to fix starting_ns_eigenvalue during many interactions?
Giovani Faccin
- [Pw_forum] Is it possible to sitch on SOI and LDA+U ?
Magdalena Birowska
- [Pw_forum] Is it possible to sitch on SOI and LDA+U ?
Gabriele Sclauzero
- [Pw_forum] K_point selection (tengfei cao)
曹腾飞
- [Pw_forum] K_point selection (tengfei cao)
shu xu
- [Pw_forum] Lattice constant for copper
Krukau, Aliaksandr
- [Pw_forum] Lattice constant for copper
Duy Le
- [Pw_forum] Lattice constant for copper
elbuesta at icqmail.com
- [Pw_forum] Lattice constant for copper
Krukau, Aliaksandr
- [Pw_forum] Lattice constant for copper
Nicola Marzari
- [Pw_forum] Lattice constant for copper
Eric Germaneau
- [Pw_forum] Lattice constant for copper
Eric Germaneau
- [Pw_forum] Lattice constant for copper
Nicola Marzari
- [Pw_forum] LDA-USPP for Ge
S. K. S.
- [Pw_forum] LDA-USPP for Ge
Lorenzo Paulatto
- [Pw_forum] local magnetic moment in non collinear calculations
Cyrille Barreteau
- [Pw_forum] local magnetic moment in non collinear calculations
Mighfar Imam
- [Pw_forum] local magnetic moment in non collinear calculations
Paolo Giannozzi
- [Pw_forum] local magnetic moment in non collinear calculations
Mighfar Imam
- [Pw_forum] local magnetic moment in non collinear calculations
Paolo Giannozzi
- [Pw_forum] Memory usage in Quantum Espresso
Krukau, Aliaksandr
- [Pw_forum] Memory usage in Quantum Espresso
Paolo Giannozzi
- [Pw_forum] mistake
曹腾飞
- [Pw_forum] mistake
Lorenzo Paulatto
- [Pw_forum] moving to Lausanne
Nicola Marzari
- [Pw_forum] nl(:) indexes of the FFT grid
Julen Ibanez Azpiroz
- [Pw_forum] nl(:) indexes of the FFT grid
Paolo Giannozzi
- [Pw_forum] nl(:) indexes of the FFT grid
Julen Ibanez Azpiroz
- [Pw_forum] norm conserving Ti pseudopotential
Tyler Gordon
- [Pw_forum] norm conserving Ti pseudopotential
Paolo Giannozzi
- [Pw_forum] norm conserving Ti pseudopotential
Nicola Marzari
- [Pw_forum] norm conserving Ti pseudopotential
Martin Andersson
- [Pw_forum] norm conserving Ti pseudopotential
Paolo Giannozzi
- [Pw_forum] norm conserving Ti pseudopotential
Derek Stewart
- [Pw_forum] norm conserving Ti pseudopotential
Nicola Marzari
- [Pw_forum] nstep for CPMD average physical quantities
Riping WANG
- [Pw_forum] nstep for CPMD average physical quantities
Riping WANG
- [Pw_forum] nstep for CPMD average physical quantities
Paolo Giannozzi
- [Pw_forum] nstep for CPMD average physical quantities
Nicola Marzari
- [Pw_forum] number of bands and degenerate states in supercell
pari shok
- [Pw_forum] number of bands and degenerate states in supercell
Duy Le
- [Pw_forum] number of bands and degenerate states in supercell
Gabriele Sclauzero
- [Pw_forum] parallel
Ranjit Thapa
- [Pw_forum] parallel
Lorenzo Paulatto
- [Pw_forum] Parallel computing
ramesh kumar
- [Pw_forum] Parallel computing
Lorenzo Paulatto
- [Pw_forum] Parallel computing:Lorenzo
ramesh kumar
- [Pw_forum] parallel use of quanum espresso
Ranjit Thapa
- [Pw_forum] PAW potential for Uranium
partha sarathi ghosh
- [Pw_forum] perpendicular saw like potential
vinoth r
- [Pw_forum] ph.x and Nesting Fermi Surfaces
W2AGZ
- [Pw_forum] ph.x and Nesting Fermi Surfaces
Miguel Martínez
- [Pw_forum] ph.x and Nesting Fermi Surfaces
W2AGZ
- [Pw_forum] phonon/reducing the number of normal modes
nazari at iasbs.ac.ir
- [Pw_forum] phonon/reducing the number of normal modes
Eyvaz Isaev
- [Pw_forum] Phonon Dispersion with LO-TO splitting
Srijan Kumar Saha
- [Pw_forum] Phonon Dispersion with LO-TO splitting
Eyvaz Isaev
- [Pw_forum] Phonon Dispersion with LO-TO splitting
Srijan Kumar Saha
- [Pw_forum] Phonon Dispersion with LO-TO splitting
Eyvaz Isaev
- [Pw_forum] plotrho.x error
Maryam Jamali
- [Pw_forum] plotrho.x error
Paolo Giannozzi
- [Pw_forum] PP generation with ld1.x (transition metals with semicore states)
Joe
- [Pw_forum] PP generation with ld1.x (transition metals with semicore states)
Andrea Dal Corso
- [Pw_forum] PP generation with ld1.x (transition metals with semicore states)
Joe
- [Pw_forum] PP generation with ld1.x (transition metals with semicore states)
Andrea Dal Corso
- [Pw_forum] Problem about lattice Relaxation calculation Tengfei Cao
曹腾飞
- [Pw_forum] problem in MPI running of QE (16 processors)
Alexander G. Kvashnin
- [Pw_forum] problem in MPI running of QE (16 processors)
Eyvaz Isaev
- [Pw_forum] problem in MPI running of QE (16 processors)
Alexander G. Kvashnin
- [Pw_forum] problem in MPI running of QE (16 processors)
Duy Le
- [Pw_forum] problem in MPI running of QE (16 processors)
Eyvaz Isaev
- [Pw_forum] problem in MPI running of QE (16 processors)
Eric Germaneau
- [Pw_forum] problem in MPI running of QE (16 processors)
Huiqun Zhou
- [Pw_forum] problems computing cholesky decomposition
Paolo Giannozzi
- [Pw_forum] problems with current_iq ?
sonu kumar
- [Pw_forum] problem with degauss and magnetization
Thaneshwor Kaloni
- [Pw_forum] problem with degauss and magnetization
Sanjeev Kumar Gupta
- [Pw_forum] problem with degauss and magnetization
Ricardo Faccio
- [Pw_forum] problem with degauss and magnetization
Huiqun Zhou
- [Pw_forum] Problem with newly implemented LDA -1/2 in atomic code (ld1)
Rajan Pandey
- [Pw_forum] Problem with newly implemented LDA -1/2 in atomic code (ld1)
Nicola Marzari
- [Pw_forum] Problem with newly implemented LDA -1/2 in atomic code (ld1)
Layla Martin-Samos
- [Pw_forum] Problem with newly implemented LDA -1/2 in atomic code (ld1)
Rajan Pandey
- [Pw_forum] Problem with newly implemented LDA -1/2 in atomic code (ld1)
Leonardo Matheus
- [Pw_forum] Problem with newly implemented LDA -1/2 in atomic code (ld1)
Rajan Pandey
- [Pw_forum] Problem with pseudopotential
Izaak Williamson
- [Pw_forum] Problem with pseudopotential
Stefano Baroni
- [Pw_forum] Problem with pseudopotential
Nicola Marzari
- [Pw_forum] Problem with pseudopotential
Izaak Williamson
- [Pw_forum] Problem with pseudopotential
Nicola Marzari
- [Pw_forum] Problem with pseudopotential
Stefano de Gironcoli
- [Pw_forum] Problem with pseudopotential
Izaak Williamson
- [Pw_forum] pseudo potential for Yb and U
partha sarathi ghosh
- [Pw_forum] published PBE data
Tram Bui
- [Pw_forum] published PBE data
Arles V. Gil Rebaza
- [Pw_forum] Pw_forum Digest, Vol 45, Issue 31
Ranjit Thapa
- [Pw_forum] Pw_forum Digest, Vol 45, Issue 31
Paolo Giannozzi
- [Pw_forum] Pw_forum Digest, Vol 45, Issue 41
bahaareh tavakoli nejad
- [Pw_forum] Pw_forum Digest, Vol 45, Issue 71
mayank gupta
- [Pw_forum] Pw_forum Subscription
Johnson, D. Ray
- [Pw_forum] Pw_forum Subscription
Stefano de Gironcoli
- [Pw_forum] Pw_forum Subscription
Paolo Giannozzi
- [Pw_forum] QHA compiling
Mahdi Mirnezhad
- [Pw_forum] QHA compiling
Eyvaz Isaev
- [Pw_forum] QHA compiling
Eyvaz Isaev
- [Pw_forum] QHA compiling
Mahdi Mirnezhad
- [Pw_forum] QHA compiling
Eyvaz Isaev
- [Pw_forum] QHA compiling
Mahdi Mirnezhad
- [Pw_forum] QHA compiling
Eyvaz Isaev
- [Pw_forum] QHA compiling
Eyvaz Isaev
- [Pw_forum] QHA compiling
Mahdi Mirnezhad
- [Pw_forum] QHA compiling
Stefano Baroni
- [Pw_forum] QHA compiling
Eyvaz Isaev
- [Pw_forum] Re : graphite cell optimization failed
Masoud Nahali
- [Pw_forum] Regarding Pwscf calculation - Organic Monoclinic Crystal
ANUP THOMAS
- [Pw_forum] relaxation process stopped without reaching the convergence "Tengfei Cao"
曹腾飞
- [Pw_forum] relaxation process stopped without reaching the convergence "Tengfei Cao"
Chenghua Sun
- [Pw_forum] saw like potential
vinoth r
- [Pw_forum] saw like potential
Jan Felix Binder
- [Pw_forum] saw like potential
vinoth r
- [Pw_forum] saw like potential
Stefano de Gironcoli
- [Pw_forum] saw like potential
vinoth r
- [Pw_forum] saw like potential
vinoth r
- [Pw_forum] SAX
meysam pazoki
- [Pw_forum] smearing
peyman amiri
- [Pw_forum] smearing
Максим Попов
- [Pw_forum] smearing
Iurii TIMROV
- [Pw_forum] smearing
Duy Le
- [Pw_forum] smearing
Alexander G. Kvashnin
- [Pw_forum] smearing
Paolo Giannozzi
- [Pw_forum] smearing
Максим Попов
- [Pw_forum] smearing
Paolo Giannozzi
- [Pw_forum] smearing
Eduardo Ariel Menendez Proupin
- [Pw_forum] Some questions about non-collinear calculation and penalty function
Sahar Mirshamsi
- [Pw_forum] Some questions about non-collinear calculation and penalty function
Sahar Mirshamsi
- [Pw_forum] Some questions about non-collinear calculation and penalty function
Sahar Mirshamsi
- [Pw_forum] Some questions about non-collinear calculation and penalty function
Paolo Giannozzi
- [Pw_forum] Some questions about non-collinear calculation and penalty function
Gabriele Sclauzero
- [Pw_forum] sorting phonons by magnitude and band index
lfhuang
- [Pw_forum] spin-orbit coupling
peyman amiri
- [Pw_forum] spin-orbit coupling
Julen Ibanez Azpiroz
- [Pw_forum] The issue of PWgui-4.2.
Hongsheng Zhao
- [Pw_forum] Two limitations of TDDFPT?
jiayudai
- [Pw_forum] Two limitations of TDDFPT?
Stefano Baroni
- [Pw_forum] Two limitations of TDDFPT?
jiayudai
- [Pw_forum] Two limitations of TDDFPT?
Gabriele Sclauzero
- [Pw_forum] Two limitations of TDDFPT?
Stefano Baroni
- [Pw_forum] Type of pseudo potential using input_dft
Duy Le
- [Pw_forum] Type of pseudo potential using input_dft
Stefano de Gironcoli
- [Pw_forum] UPF=>Abinit (was: Pw_forum Digest, Vol 45, Issue 41)
Paolo Giannozzi
- [Pw_forum] vacancy defect
Phillip Nyawere
- [Pw_forum] Vacancy energy
Phillip Nyawere
- [Pw_forum] Valence state identification for BaTiO3
Liwei Geng
- [Pw_forum] Valence state identification for BaTiO3
Nicola Marzari
- [Pw_forum] Work function for Al100 in example files
Izaak Williamson
- [Pw_forum] XSpectra on graphite slab
Alain Allouche
- [Pw_forum] XSpectra on graphite slab
Derek Stewart
- [Pw_forum] XSpectra on graphite slab
Alain Allouche
- [Pw_forum] XSpectra on graphite slab
Paolo Giannozzi
- [Pw_forum] XSpectra on graphite slab
Alain Allouche
- [Pw_forum] XSpectra on graphite slab
matteo calandra
- [Pw_forum] XSpectra on graphite slab
Alain Allouche
- [Pw_forum] XYZ for K-Points set
Mehrnoosh Hazrati
- [Pw_forum] XYZ for K-Points set
Serge Nakhmanson
- [Pw_forum] XYZ for K-Points set
Duy Le
- [Pw_forum] XYZ for K-Points set
Mehrnoosh Hazrati
- [Pw_forum] НА: Re: problem in MPI running of QE (16 processors)
Alexander Kvashnin
- [Pw_forum] НА: Re: problem in MPI running of QE (16 processors)
Omololu Akin-Ojo
- [Pw_forum] НА: Re: problem in MPI running of QE (16 processors)
Alexander G. Kvashnin
- [Pw_forum] НА: Re: problem in MPI running of QE (16 processors)
Duy Le
- [Pw_forum] НА: Re: problem in MPI running of QE (16 processors)
Huiqun Zhou
- [Pw_forum] НА: Re: problem in MPI running of QE (16 processors)
Alexander G. Kvashnin
- [Pw_forum] НА: Re: problem in MPI running of QE (16 processors)
Paolo Giannozzi
- [Pw_forum] НА: Re: problem in MPI running of QE (16 processors)
Alexander G. Kvashnin
- [Pw_forum] НА: Re: НА: Re: problem in MPI running of QE (16 processors)
Alexander Kvashnin
Last message date:
Thu Mar 31 23:46:51 CEST 2011
Archived on: Wed Feb 28 11:05:43 CET 2018
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