May 2011 Archives by date
Starting: Sun May 1 12:08:16 CEST 2011
Ending: Tue May 31 21:42:44 CEST 2011
Messages: 393
- [Pw_forum] LO-TO splitting in dynmat.x
Stefano Baroni
- [Pw_forum] About time dependent
Stefano Baroni
- [Pw_forum] how to get kopint from xcrysden
Paul Funso
- [Pw_forum] LO-TO splitting in dynmat.x
xirainbow
- [Pw_forum] [sum_band.o] Error 1
B. Koa
- [Pw_forum] [sum_band.o] Error 1
Paolo Giannozzi
- [Pw_forum] [sum_band.o] Error 1
Lorenzo Paulatto
- [Pw_forum] Oscillations in macroscopic average of VH+Vbare
Gabriele Sclauzero
- [Pw_forum] dos vs. pdos.tot
Gabriele Sclauzero
- [Pw_forum] cesium PP generation regarding semicore state
Gabriele Sclauzero
- [Pw_forum] how to get kopint from xcrysden
Gabriele Sclauzero
- [Pw_forum] dos vs. pdos.tot
Mehrnoosh Hazrati
- [Pw_forum] neb.x with intermediate images
Patricia Alejandra Paredes-Olivera
- [Pw_forum] Graphene Nanoribbon
swapnil chandratre
- [Pw_forum] neb.x with intermediate images
Arles V. Gil Rebaza
- [Pw_forum] neb.x with intermediate images
Patricia Alejandra Paredes-Olivera
- [Pw_forum] Graphene Nanoribbon
xirainbow
- [Pw_forum] Graphene Nanoribbon
swapnil chandratre
- [Pw_forum] Graphene Nanoribbon
xirainbow
- [Pw_forum] Graphene Nanoribbon
swapnil chandratre
- [Pw_forum] neb.x with intermediate images
Layla Martin-Samos
- [Pw_forum] Need help to run on windows using cygwin
Dr. Mahmudur Rahman
- [Pw_forum] Need help to run on windows using cygwin
Giovanni Cantele
- [Pw_forum] Imposing opposite spins
Padmaja Patnaik
- [Pw_forum] Imposing opposite spins
Arles V. Gil Rebaza
- [Pw_forum] using wf_collect only for a few bands
J. D. Burton
- [Pw_forum] Cohesive Energy of N2 molecule
Izaak Williamson
- [Pw_forum] Cohesive Energy of N2 molecule
Giovani Faccin
- [Pw_forum] Atomic-positions VS nat, ntyp
Amin Torabi
- [Pw_forum] Cohesive Energy of N2 molecule
elbuesta at icqmail.com
- [Pw_forum] Cohesive Energy of N2 molecule
Paolo Giannozzi
- [Pw_forum] Atomic-positions VS nat, ntyp
Paolo Giannozzi
- [Pw_forum] Cohesive Energy of N2 molecule
Davide Ceresoli
- [Pw_forum] k-points for band structure for monoclinic system
Abolore Musari
- [Pw_forum] Cohesive Energy of N2 molecule
Masoud Nahali
- [Pw_forum] Cohesive Energy of N2 molecule
Stefano de Gironcoli
- [Pw_forum] Atomic-positions VS nat, ntyp
Stefano de Gironcoli
- [Pw_forum] Graphene Nanoribbon
swapnil chandratre
- [Pw_forum] Graphene Nanoribbon
swapnil chandratre
- [Pw_forum] k-point
Seyed Mojtaba Rezaei Sani
- [Pw_forum] Hello, I have some problemof QE.
yhho
- [Pw_forum] Hello, I have some problemof QE.
Paolo Giannozzi
- [Pw_forum] Hello, I have some problemof QE.
Changru Ma
- [Pw_forum] Hello, I have some problemof QE.
Giovanni Cantele
- [Pw_forum] cohesive energy of water/ice
Martin Andersson
- [Pw_forum] cohesive energy of water/ice
Emine Kucukbenli
- [Pw_forum] cohesive energy of water/ice
Martin Andersson
- [Pw_forum] cohesive energy of water/ice
Juan Manuel Lopez
- [Pw_forum] cohesive energy of water/ice
Emine Kucukbenli
- [Pw_forum] Magnetization
Padmaja Patnaik
- [Pw_forum] Magnetization
Giovanni Cantele
- [Pw_forum] cohesive energy of water/ice
Martin Andersson
- [Pw_forum] phonons in parallel in 4.3
matthieu verstraete
- [Pw_forum] phonons in parallel in 4.3
Paolo Giannozzi
- [Pw_forum] electron-phonon interaction in semiconductor
Nandan Tandon
- [Pw_forum] grid of spacing k-vectors
Duy Le
- [Pw_forum] electron-phonon interaction in QE 4.3
Jeffrey M. McMahon
- [Pw_forum] grid of spacing k-vectors
Gabriele Sclauzero
- [Pw_forum] grid of spacing k-vectors
germaneau
- [Pw_forum] electron-phonon interaction in QE 4.3
Paolo Giannozzi
- [Pw_forum] grid of spacing k-vectors
Gabriele Sclauzero
- [Pw_forum] Need help to install quantum espresso
Dr. Mahmudur Rahman
- [Pw_forum] Pw_forum Digest, Vol 47, Issue 8
Dr. Mahmudur Rahman
- [Pw_forum] band of LDA+U & SOC
kangbugy at lycos.co.kr
- [Pw_forum] smearing
pari shok
- [Pw_forum] grid of spacing k-vectors
Eric Germaneau
- [Pw_forum] smearing
xirainbow
- [Pw_forum] electron-phonon interaction in QE 4.3
Nandan Tandon
- [Pw_forum] First PWscf GPU-enabled beta-release
Ivan Girotto
- [Pw_forum] First PWscf GPU-enabled beta-release
Vit
- [Pw_forum] Need help to install quantum espresso
Vit
- [Pw_forum] grid of spacing k-vectors
Eric Germaneau
- [Pw_forum] First PWscf GPU-enabled beta-release
Ivan Girotto
- [Pw_forum] electron-phonon interaction in QE 4.3
Paolo Giannozzi
- [Pw_forum] electron-phonon interaction in QE 4.3
Nandan Tandon
- [Pw_forum] using wf_collect only for a few bands
Paolo Giannozzi
- [Pw_forum] Pw_forum Digest, Vol 47, Issue 22
Dr. Mahmudur Rahman
- [Pw_forum] electron-phonon interaction in QE 4.3
Andrea Dal Corso
- [Pw_forum] electron-phonon interaction in QE 4.3
Paolo Giannozzi
- [Pw_forum] The question about difference between diamond and graphite
Alexander G. Kvashnin
- [Pw_forum] the unit of DOS
mashiat alaaii
- [Pw_forum] the unit of DOS
Giovanni Cantele
- [Pw_forum] the unit of DOS
Ramesh Kumar
- [Pw_forum] why K-X point of phonon dispersion is wrong?
lucking-pine
- [Pw_forum] the unit of DOS
Ramesh Kumar
- [Pw_forum] the unit of DOS
Giovanni Cantele
- [Pw_forum] why K-X point of phonon dispersion is wrong?
Eyvaz Isaev
- [Pw_forum] Pw_forum Digest, Vol 47, Issue 22
Paolo Giannozzi
- [Pw_forum] the unit of DOS
Iurii TIMROV
- [Pw_forum] STM images 'tfcao'
Cao TF
- [Pw_forum] the unit of DOS
Giovanni Cantele
- [Pw_forum] the unit of DOS
xirainbow
- [Pw_forum] the unit of DOS
Iurii TIMROV
- [Pw_forum] making a supercell
pari shok
- [Pw_forum] making a supercell
Lars Matthes
- [Pw_forum] making a supercell
Lars Matthes
- [Pw_forum] electron-phonon interaction in QE 4.3
W2AGZ
- [Pw_forum] Problem with pseudopotential
W2AGZ
- [Pw_forum] Doubt in band plot
Padmaja Patnaik
- [Pw_forum] Doubt in band plot
xirainbow
- [Pw_forum] Phonon frequency of Body centred cubic strucure
mayank gupta
- [Pw_forum] Phonon frequency of Body centred cubic strucure
Merlin Meheut
- [Pw_forum] Relaxed Graphene Nanoribbon
swapnil chandratre
- [Pw_forum] charge density
vicky singh
- [Pw_forum] electron-phonon interaction in QE 4.3
Paolo Giannozzi
- [Pw_forum] charge density
xirainbow
- [Pw_forum] Phonon frequency of Body centred cubic strucure
mayank gupta
- [Pw_forum] charge density
Masoud Nahali
- [Pw_forum] Relaxed Graphene Nanoribbon
Giovanni Cantele
- [Pw_forum] Relaxed Graphene Nanoribbon
mousumi uk
- [Pw_forum] Relaxed Graphene Nanoribbon
Arles V. Gil Rebaza
- [Pw_forum] Relaxed Graphene Nanoribbon
swapnil chandratre
- [Pw_forum] Error Installing XCrysden
swapnil chandratre
- [Pw_forum] charge density
vicky singh
- [Pw_forum] problems with variables in US pseudopotential generation
Tram Bui
- [Pw_forum] Relaxed Graphene Nanoribbon
Arles V. Gil Rebaza
- [Pw_forum] problems with variables in US pseudopotential generation
Emine Kucukbenli
- [Pw_forum] problems with variables in US pseudopotential generation
Lorenzo Paulatto
- [Pw_forum] SVN versus CVS
Suza W
- [Pw_forum] optimizing of celldm(1) and celldm(3)
faride heydari
- [Pw_forum] SVN versus CVS
Paolo Giannozzi
- [Pw_forum] Error Installing XCrysden
Tone Kokalj
- [Pw_forum] why K-X point of phonon dispersion is wrong?
lucking-pine
- [Pw_forum] charge density
vicky singh
- [Pw_forum] error during vc-relax
mayank gupta
- [Pw_forum] Negative phonon frequency
mayank gupta
- [Pw_forum] warning in SCF run
mayank gupta
- [Pw_forum] The question about difference between diamond and graphite
Gabriele Sclauzero
- [Pw_forum] The question about difference between diamond and graphite
Gabriele Sclauzero
- [Pw_forum] The question about difference between diamond and graphite
martins at if.uff.br
- [Pw_forum] matdyn.x
S. K. S.
- [Pw_forum] matdyn.x
Stefano de Gironcoli
- [Pw_forum] matdyn.x
S. K. S.
- [Pw_forum] Negative phonon frequency
Duy Le
- [Pw_forum] Error Installing XCrysden
swapnil chandratre
- [Pw_forum] Strained Graphene Nanoribbon
swapnil chandratre
- [Pw_forum] Can pwscf calculate the structure of charged slab ?
taoohee
- [Pw_forum] CELL PARAMETERS
昶棘汐
- [Pw_forum] Can pwscf calculate the structure of charged slab ?
xirainbow
- [Pw_forum] Warning in PW.x run
mayank gupta
- [Pw_forum] Error Installing XCrysden
ramesh kumar
- [Pw_forum] Warning in PW.x run
Gabriele Sclauzero
- [Pw_forum] Can pwscf calculate the structure of charged slab ?
Giuseppe Mattioli
- [Pw_forum] Problem in paralization with QE4.3
S. K. S.
- [Pw_forum] CELL PARAMETERS
Paolo Giannozzi
- [Pw_forum] Problem in paralization with QE4.3
Paolo Giannozzi
- [Pw_forum] Negative phonon frequency
mohnish pandey
- [Pw_forum] UPF PAW with Atompaw
hichem bouderba
- [Pw_forum] UPF PAW with Atompaw
Lorenzo Paulatto
- [Pw_forum] UPF PAW with Atompaw
hichem bouderba
- [Pw_forum] Strained Graphene Nanoribbon
Paolo Giannozzi
- [Pw_forum] Strained Graphene Nanoribbon
swapnil chandratre
- [Pw_forum] Strained Graphene Nanoribbon
Paolo Giannozzi
- [Pw_forum] Strained Graphene Nanoribbon
swapnil chandratre
- [Pw_forum] WARNING :: NEGATIVE RHO UP DOWN
mayank gupta
- [Pw_forum] WARNING :: NEGATIVE RHO UP DOWN
Paolo Giannozzi
- [Pw_forum] Strained Graphene Nanoribbon
Arles V. Gil Rebaza
- [Pw_forum] Strained Graphene Nanoribbon
swapnil chandratre
- [Pw_forum] 12 Beryllium atoms in the unit cell
Amin Torabi
- [Pw_forum] 12 Beryllium atoms in the unit cell
Stefano de Gironcoli
- [Pw_forum] Strained Graphene Nanoribbon
Ricardo Faccio
- [Pw_forum] non degenerate phonon frequency for cubic crystal along 1 0 0
mayank gupta
- [Pw_forum] Strained Graphene Nanoribbon
Arles V. Gil Rebaza
- [Pw_forum] UPF PAW with Atompaw
hichem bouderba
- [Pw_forum] UPF PAW with Atompaw
Paolo Giannozzi
- [Pw_forum] non degenerate phonon frequency for cubic crystal along 1 0 0
Paolo Giannozzi
- [Pw_forum] UPF PAW with Atompaw
hichem bouderba
- [Pw_forum] Script for MP grid sampling test.
Hongsheng Zhao
- [Pw_forum] non degenerate phonon frequency for cubic crystal along 1 0 0
Stefano de Gironcoli
- [Pw_forum] UPF PAW with Atompaw
Lorenzo Paulatto
- [Pw_forum] UPF PAW with Atompaw
hichem bouderba
- [Pw_forum] UPF PAW with Atompaw
Lorenzo Paulatto
- [Pw_forum] UPF PAW with Atompaw
hichem bouderba
- [Pw_forum] Problem with PP codes
martins at if.uff.br
- [Pw_forum] Problem with PP codes
Paolo Giannozzi
- [Pw_forum] why K-X point of phonon dispersion is wrong?
Eyvaz Isaev
- [Pw_forum] why K-X point of phonon dispersion is wrong?
lucking-pine
- [Pw_forum] charge density
vicky singh
- [Pw_forum] error in post procesing with temp file
vicky singh
- [Pw_forum] charge density
Masoud Nahali
- [Pw_forum] why K-X point of phonon dispersion is wrong?
Eyvaz Isaev
- [Pw_forum] Graphene Nanoribbon
swapnil chandratre
- [Pw_forum] CELL PARAMETERS
昶棘汐
- [Pw_forum] relaxation doesn't keep the Wyckoff relation between related atoms.
mayank gupta
- [Pw_forum] relaxation doesn't keep the Wyckoff relation between related atoms.
Paolo Giannozzi
- [Pw_forum] CELL PARAMETERS
Paolo Giannozzi
- [Pw_forum] relaxation doesn't keep the Wyckoff relation
mayank gupta
- [Pw_forum] relaxation doesn't keep the Wyckoff relation
Stefano de Gironcoli
- [Pw_forum] relaxation doesn't keep the Wyckoff relation
Stefano de Gironcoli
- [Pw_forum] Relaxation Simulation
swapnil chandratre
- [Pw_forum] Relaxation giving negative relative coordinates.
Christopher Heard
- [Pw_forum] Relaxation giving negative relative coordinates.
Stefano de Gironcoli
- [Pw_forum] Relaxation Simulation
Stefano de Gironcoli
- [Pw_forum] Relaxation giving negative relative coordinates. / Chris Heard
Christopher Heard
- [Pw_forum] why K-X point of phonon dispersion is wrong?
lucking-pine
- [Pw_forum] LDOS on x-y direction, perpendicular to z
mashiat alaaii
- [Pw_forum] Graphene Nanoribbon
Ari P Seitsonen
- [Pw_forum] Graphene Nanoribbon
swapnil chandratre
- [Pw_forum] transition state doesn't converge
Fen Hong
- [Pw_forum] Graphene Nanoribbon
Giovanni Cantele
- [Pw_forum] LDOS on x-y direction, perpendicular to z
Guido Fratesi
- [Pw_forum] EE namelist
martins at if.uff.br
- [Pw_forum] EE namelist
Oliviero Andreussi
- [Pw_forum] vc-relax with nspin=2 . Crashin
m.g.p.krishna at chem.leidenuniv.nl
- [Pw_forum] vc-relax with nspin=2 . Crashin
Paolo Giannozzi
- [Pw_forum] How to restart md calculation using pw.x
willy kohn
- [Pw_forum] How to restart md calculation using pw.x
Changru Ma
- [Pw_forum] How to restart md calculation using pw.x
willy kohn
- [Pw_forum] Generating the Cs ultrasoft PP
Tram Bui
- [Pw_forum] Generating the Cs ultrasoft PP
Nicola Marzari
- [Pw_forum] Generating the Cs ultrasoft PP
Emine Kucukbenli
- [Pw_forum] vc-relax with nspin=2 . Crashin
m.g.p.krishna at chem.leidenuniv.nl
- [Pw_forum] How to restart md calculation using pw.x
Paolo Giannozzi
- [Pw_forum] pwscf: energy convergence of noncollinear with spin-orbit calculations
German Samolyuk
- [Pw_forum] LDA PZ USPP for Mg
S. K. S.
- [Pw_forum] How to restart md calculation using pw.x
willy kohn
- [Pw_forum] relaxed structure
mayank gupta
- [Pw_forum] How to restart md calculation using pw.x
Paolo Giannozzi
- [Pw_forum] relaxed structure
Paolo Giannozzi
- [Pw_forum] relaxed structure
Максим Попов
- [Pw_forum] How to restart md calculation using pw.x
Eric Germaneau
- [Pw_forum] mixing pseudopotentials using virtual.x
da wang
- [Pw_forum] Error message from scf calculation
Tram Bui
- [Pw_forum] mixing pseudopotentials using virtual.x
Emine Kucukbenli
- [Pw_forum] Phonons with constrained Magnetisation & espresso-4.3
Bipul Rakshit
- [Pw_forum] Error message from scf calculation
Paolo Giannozzi
- [Pw_forum] relaxed structure
Eric Germaneau
- [Pw_forum] Is it possiable to do MP grid test based on grid density within pwscf?
Hongsheng Zhao
- [Pw_forum] vc-relax - negative and non-zero cell parameters
Christopher Heard
- [Pw_forum] vc-relax - negative and non-zero cell parameters
Максим Попов
- [Pw_forum] Is it possiable to do MP grid test based on grid density within pwscf?
Paolo Giannozzi
- [Pw_forum] ?spam? Re: vc-relax - negative and non-zero cell parameters
Christopher Heard
- [Pw_forum] vc-relax - negative and non-zero cell parameters
Paolo Giannozzi
- [Pw_forum] ?spam? Re: vc-relax - negative and non-zero cell parameters
Максим Попов
- [Pw_forum] vc-relax - negative and non-zero cell parameters
Christopher Heard
- [Pw_forum] Error message from scf calculation
Tram Bui
- [Pw_forum] Error message from scf calculation
Duy Le
- [Pw_forum] Error message from scf calculation
Duy Le
- [Pw_forum] ?spam? Re: vc-relax - negative and non-zero cell parameters
Stefano de Gironcoli
- [Pw_forum] GPU-enabled
S. D. Wang
- [Pw_forum] GPU-enabled
Ali Tavana
- [Pw_forum] Nodes Hang bcoz of High IO's
Bipul Rakshit
- [Pw_forum] GPU-enabled
Davide Ceresoli
- [Pw_forum] Nodes Hang bcoz of High IO's
Paolo Giannozzi
- [Pw_forum] G-vectors
S. D. Wang
- [Pw_forum] G-vectors
Stefano de Gironcoli
- [Pw_forum] q-points unit
Seyed Mojtaba Rezaei Sani
- [Pw_forum] q-points unit
Stefano de Gironcoli
- [Pw_forum] q-points unit
Seyed Mojtaba Rezaei Sani
- [Pw_forum] q-points unit
Stefano de Gironcoli
- [Pw_forum] q-points unit
Seyed Mojtaba Rezaei Sani
- [Pw_forum] q-points unit
Paolo Giannozzi
- [Pw_forum] q-points unit
Seyed Mojtaba Rezaei Sani
- [Pw_forum] Error computing berry phase
swapnil chandratre
- [Pw_forum] I added you as a friend on Quepasa.com
drbaliram lone
- [Pw_forum] I added you as a friend on Quepasa.com
drbaliram lone
- [Pw_forum] Error computing berry phase
Paolo Giannozzi
- [Pw_forum] Error computing berry phase
swapnil chandratre
- [Pw_forum] Error computing berry phase
Paolo Giannozzi
- [Pw_forum] Error computing berry phase
swapnil chandratre
- [Pw_forum] constrained cell optimization
Seyed Mojtaba Rezaei Sani
- [Pw_forum] "Not orthogonal operation" error in vc-relax optimization
Seyed Mojtaba Rezaei Sani
- [Pw_forum] "Not orthogonal operation" error in vc-relax optimization
mohnish pandey
- [Pw_forum] Yb pseudo
Sanjeev Gupta
- [Pw_forum] Yb pseudo
Gabriele Sclauzero
- [Pw_forum] constrained cell optimization
Eric Germaneau
- [Pw_forum] box size in example03
Amin Torabi
- [Pw_forum] box size in example03
Duy Le
- [Pw_forum] box size in example03
Stefano de Gironcoli
- [Pw_forum] installing QE
vicky singh
- [Pw_forum] Single point energy calculation within PWSCF.
Michael Sullivan
- [Pw_forum] Single point energy calculation within PWSCF.
mohnish pandey
- [Pw_forum] installing QE
vicky singh
- [Pw_forum] installing QE
Sanjeev Gupta
- [Pw_forum] installing QE
vicky singh
- [Pw_forum] Minor problem in tests and cptests scripts for QE 4.3
Cristian Degli Esposti Boschi
- [Pw_forum] K point in matdyn.x
Mahdi Mirnezhad
- [Pw_forum] K point in matdyn.x
mohnish pandey
- [Pw_forum] K point in matdyn.x
Mahdi Mirnezhad
- [Pw_forum] Minor problem in tests and cptests scripts for QE 4.3
Paolo Giannozzi
- [Pw_forum] Minor problem in tests and cptests scripts for QE 4.3
Duy Le
- [Pw_forum] Minor problem in tests and cptests scripts for QE 4.3
Paolo Giannozzi
- [Pw_forum] Minor problem in tests and cptests scripts for QE 4.3
Duy Le
- [Pw_forum] Single point energy calculation within PWSCF.
Hongsheng Zhao
- [Pw_forum] installing QE
Eric Germaneau
- [Pw_forum] Quantum Espresso v.4.3.1
Paolo Giannozzi
- [Pw_forum] Insufficient q-points be calculated by phonon calculation
Seyed Mojtaba Rezaei Sani
- [Pw_forum] Insufficient q-points be calculated by phonon calculation
Lorenzo Paulatto
- [Pw_forum] installing QE
Eric Germaneau
- [Pw_forum] Single point energy calculation within PWSCF.
Emine Kucukbenli
- [Pw_forum] Insufficient q-points be calculated by phonon calculation
Seyed Mojtaba Rezaei Sani
- [Pw_forum] Insufficient q-points be calculated by phonon calculation
Lorenzo Paulatto
- [Pw_forum] Pseudo-potential testing
Tram Bui
- [Pw_forum] Pseudo-potential testing
Tram Bui
- [Pw_forum] PlotPhon run example failed!
lucking-pine
- [Pw_forum] Single point energy calculation within PWSCF.
Hongsheng Zhao
- [Pw_forum] installing QE
GAO Zhe
- [Pw_forum] PlotPhon run example failed!
GAO Zhe
- [Pw_forum] Insufficient q-points be calculated by phonon calculation
Seyed Mojtaba Rezaei Sani
- [Pw_forum] accuracy of calculated phonon frequency
mayank gupta
- [Pw_forum] Insufficient q-points be calculated by phonon calculation
Stefano de Gironcoli
- [Pw_forum] Pseudo-potential testing
Gabriele Sclauzero
- [Pw_forum] Caculation of Graphene's phonon dispersion and pdos
yhho
- [Pw_forum] Hybrid XC with USP
priyanka goud
- [Pw_forum] Hybrid XC with USP
Gabriele Sclauzero
- [Pw_forum] Hybrid XC with USP
priyanka goud
- [Pw_forum] Hybrid XC with USP
Gabriele Sclauzero
- [Pw_forum] very high pressure in scf
Sanjay D. Gupta
- [Pw_forum] very high pressure in scf
Максим Попов
- [Pw_forum] Postdoctoral Research Position: Ab-Initio Dynamics of Condensed Matter
Thomas Kühne
- [Pw_forum] very high pressure in scf
Sanjeev Gupta
- [Pw_forum] Insufficient q-points be calculated by phonon calculation
lucking-pine
- [Pw_forum] Running parallel in some example of 2 cup is wrong?
lucking-pine
- [Pw_forum] Running parallel in some example of 2 cup is wrong?
Duy Le
- [Pw_forum] Caculation of Graphene's phonon dispersion and pdos
GAO Zhe
- [Pw_forum] Running parallel in some example of 2 cup is wrong?
GAO Zhe
- [Pw_forum] very high pressure in scf
Duy Le
- [Pw_forum] very high pressure in scf
Stefano de Gironcoli
- [Pw_forum] c_bands : eigenvalues not converged
Elie Moujaes
- [Pw_forum] very high pressure in scf
Sanjeev Gupta
- [Pw_forum] is there a way to find the edge of conduction band from fermi level?
mashiat alaaii
- [Pw_forum] very high pressure in scf
Stefano de Gironcoli
- [Pw_forum] Running parallel in some example of 2 cup is wrong?
lucking-pine
- [Pw_forum] Single point energy calculation within PWSCF.
Hongsheng Zhao
- [Pw_forum] How to obtain the excition binding energy of ZnO using pwscf?
红生 赵
- [Pw_forum] LO-TO splitting
Bipul Rakshit
- [Pw_forum] LO-TO splitting
xirainbow
- [Pw_forum] very high pressure in scf
Sanjeev Gupta
- [Pw_forum] Insufficient q-points be calculated by phonon calculation
Seyed Mojtaba Rezaei Sani
- [Pw_forum] very high pressure in scf
Gabriele Sclauzero
- [Pw_forum] How to obtain the binding energy ( in the unit of eV/Zn-O pair ) for Wurtsite ZnO?
红生 赵
- [Pw_forum] very high pressure in scf
Sanjeev Gupta
- [Pw_forum] Dear Users
ANUP THOMAS
- [Pw_forum] How to obtain the excition binding energy of ZnO using pwscf?
Giuseppe Mattioli
- [Pw_forum] Dear Users
Giuseppe Mattioli
- [Pw_forum] How to obtain the excition binding energy of ZnO using pwscf?
Stefano Baroni
- [Pw_forum] very high pressure in scf
Stefano de Gironcoli
- [Pw_forum] very high pressure in scf
Stefano Baroni
- [Pw_forum] is there a way to find the edge of conduction band from fermi level?
Giuseppe Mattioli
- [Pw_forum] very high pressure in scf
Sanjeev Gupta
- [Pw_forum] very high pressure in scf
Paolo Giannozzi
- [Pw_forum] very high pressure in scf
Duy Le
- [Pw_forum] Insufficient q-points be calculated by phonon calculation
Lorenzo Paulatto
- [Pw_forum] Pseudo-potential testing
Tram Bui
- [Pw_forum] energy/force/stress obtained from scf versus vc-relax
Amin Torabi
- [Pw_forum] Electro-optical coefficients
Antonio
- [Pw_forum] energy/force/stress obtained from scf versus vc-relax
xirainbow
- [Pw_forum] Invitation to connect on LinkedIn
BAC PHUNG via LinkedIn
- [Pw_forum] HSE
Leonardo Matheus Marion Jorge
- [Pw_forum] How to obtain the binding energy ( in the unit of eV/Zn-O pair ) for Wurtsite ZnO?
mohnish pandey
- [Pw_forum] Electro-optical coefficients
Paolo Giannozzi
- [Pw_forum] NEB error: unexpected dimension in ngg
Egbert Barnard
- [Pw_forum] Insufficient q-points be calculated by phonon calculation
Seyed Mojtaba Rezaei Sani
- [Pw_forum] problem on phonon
bhabya sahoo
- [Pw_forum] problem on phonon
Sanjeev Gupta
- [Pw_forum] HSE
hannu.komsa at epfl.ch
- [Pw_forum] problem on phonon
bhabya sahoo
- [Pw_forum] problem on phonon
Stefano de Gironcoli
- [Pw_forum] question about the convergence of eigenvalues
Lun Yue
- [Pw_forum] problem on phonon
bhabya sahoo
- [Pw_forum] The difference between binding energy and cohesive energy.
Hongsheng Zhao
- [Pw_forum] How to obtain the binding energy ( in the unit of eV/Zn-O pair ) for Wurtsite ZnO?
Hongsheng Zhao
- [Pw_forum] enthalpy in damped dynamic
Amin Torabi
- [Pw_forum] installing QE
vicky singh
- [Pw_forum] enthalpy in damped dynamic
Stefano de Gironcoli
- [Pw_forum] phonon free energy
bhabya sahoo
- [Pw_forum] phonon free energy
Stefano de Gironcoli
- [Pw_forum] sumpdos.x
Farzad Molani
- [Pw_forum] problem on phonon
bhabya sahoo
- [Pw_forum] problem on phonon
bhabya sahoo
- [Pw_forum] sumpdos.x
shu xu
- [Pw_forum] different born effective charges of symmetry related atom
mayank gupta
- [Pw_forum] NEB error: unexpected dimension in ngg
Paolo Giannozzi
- [Pw_forum] error in running the espresso-4.3 examples
vicky singh
- [Pw_forum] Pseudo-potential testing
Gabriele Sclauzero
- [Pw_forum] sumpdos.x
Gabriele Sclauzero
- [Pw_forum] question about the convergence of eigenvalues
Gabriele Sclauzero
- [Pw_forum] NEB error: unexpected dimension in ngg
Egbert Barnard
- [Pw_forum] How to obtain the binding energy ( in the unit of eV/Zn-O pair ) for Wurtsite ZnO?
Hongsheng Zhao
- [Pw_forum] total energy with GW
Eduardo Ariel Menendez Proupin
- [Pw_forum] NEB error: unexpected dimension in ngg
Paolo Giannozzi
- [Pw_forum] Born effective Charges
mayank gupta
- [Pw_forum] Using mixture of pseudo potential
Vi Vo
- [Pw_forum] Using mixture of pseudo potential
lucking-pine
- [Pw_forum] PBE0 convergence
Jie Jiang
- [Pw_forum] FFT grid and cutoff energy.
Nicola Marzari
- [Pw_forum] FFT grid and cutoff energy.
Duy Le
- [Pw_forum] problem with the pdos calculation
Cao TF
- [Pw_forum] Using mixture of pseudo potential
Vi Vo
- [Pw_forum] Using mixture of pseudo potential
Duy Le
- [Pw_forum] (no subject)
bhabya sahoo
- [Pw_forum] Using mixture of pseudo potential
Vi Vo
- [Pw_forum] Using mixture of pseudo potential
Duy Le
Last message date:
Tue May 31 21:42:44 CEST 2011
Archived on: Tue May 31 21:43:17 CEST 2011
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