March 2009 Archives by subject
Starting: Sun Mar 1 07:45:15 CET 2009
Ending: Tue Mar 31 14:57:11 CEST 2009
Messages: 506
- [Pw_forum] "charge is wrong" error
Aihua Zhang
- [Pw_forum] "charge is wrong" error
Eyvaz Isaev
- [Pw_forum] "charge is wrong" error
Paolo Giannozzi
- [Pw_forum] "charge is wrong" error
Paolo Giannozzi
- [Pw_forum] "charge is wrong" error
Aihua Zhang
- [Pw_forum] "charge is wrong" error
Aihua Zhang
- [Pw_forum] "charge is wrong" error
O. Baris Malcioglu
- [Pw_forum] "charge is wrong" error
Paolo Giannozzi
- [Pw_forum] "charge is wrong" error
Aihua Zhang
- [Pw_forum] "charge is wrong" error
Aihua Zhang
- [Pw_forum] "charge is wrong" error
Paolo Giannozzi
- [Pw_forum] "charge is wrong" error
Gabriele Sclauzero
- [Pw_forum] "charge is wrong" error
Paolo Giannozzi
- [Pw_forum] "charge is wrong" error
Aihua Zhang
- [Pw_forum] "charge is wrong" error
Paolo Giannozzi
- [Pw_forum] "charge is wrong" error
Paolo Giannozzi
- [Pw_forum] "charge is wrong" error
Paolo Giannozzi
- [Pw_forum] "charge is wrong" error
Aihua Zhang
- [Pw_forum] "charge is wrong" error
Paolo Giannozzi
- [Pw_forum] "charge is wrong" error
Aihua Zhang
- [Pw_forum] "charge is wrong" error
Paolo Giannozzi
- [Pw_forum] (2) about the logical parameter "use_masses" in IONS card
Tone Kokalj
- [Pw_forum] (2) about the logical parameter "use_masses" in IONS card
lfhuang
- [Pw_forum] 6. Re: question about electron phonon calculation (hqzhou)
Xiang-Feng Zhou
- [Pw_forum] A method on defining a based-centered monoclinic cell
Tone Kokalj
- [Pw_forum] A method on defining a based-centered monoclinic cell
yinwei_li
- [Pw_forum] A method on defining a based-centered monoclinic cell
yinwei_li
- [Pw_forum] A method on defining a based-centered monoclinic cell
liu hanyu
- [Pw_forum] A method on defining a based-centered monoclinic cell
Paolo Giannozzi
- [Pw_forum] A method on defining a based-centered monoclinic cell
lan haiping
- [Pw_forum] A method on defining a based-centered monoclinic cell
liu hanyu
- [Pw_forum] A method on defining a based-centered monoclinic cell
yinwei_li
- [Pw_forum] a not reasonable initial path for NEB calculation
lfhuang
- [Pw_forum] a not reasonable initial path for NEB calculation
Paolo Giannozzi
- [Pw_forum] a not reasonable initial path for NEB calculation
Prasenjit Ghosh
- [Pw_forum] a not reasonable initial path for NEB calculation
lfhuang
- [Pw_forum] a not reasonable initial path for NEB calculation
lfhuang
- [Pw_forum] a not reasonable initial path for NEB calculation
Prasenjit Ghosh
- [Pw_forum] about 'fnosep'
cdm_mail
- [Pw_forum] about the logical parameter "use_masses" in IONS card
lfhuang
- [Pw_forum] about the path length in NEB calculations
lfhuang
- [Pw_forum] about the path length in NEB calculations
Paolo Giannozzi
- [Pw_forum] about the path length in NEB calculations
Cyrille Barreteau
- [Pw_forum] about the quantum tunneling of diffusing atoms
lfhuang
- [Pw_forum] about the quantum tunneling of diffusing atoms
Stefano Baroni
- [Pw_forum] about the quantum tunneling of diffusing atoms
lfhuang
- [Pw_forum] about the quantum tunneling of diffusing atoms
Axel Kohlmeyer
- [Pw_forum] antiferromagnetism in ZB input file with 2 atoms
mazouz moulay
- [Pw_forum] antiferromagnetism in ZB input file with 2 atoms
Paolo Giannozzi
- [Pw_forum] antiferromagnetism in ZB input file with 2 atoms
mazouz moulay
- [Pw_forum] antiferromagnetism in ZB input file with 2 atoms
mazouz moulay
- [Pw_forum] antiferromagnetism in ZB input file with 2 atoms
Paolo Giannozzi
- [Pw_forum] antiferromagnetism in ZB input file with 2 atoms
Eyvaz Isaev
- [Pw_forum] antiferromagnetism in ZB input file with 2 atoms
mazouz moulay
- [Pw_forum] antiferromagnetism in ZB input file with 2 atoms
mazouz moulay
- [Pw_forum] antiferromagnetism in ZB input file with 2 atoms
Stefano Baroni
- [Pw_forum] any good paper on "non-collinear" using PWSCF?
lfhuang
- [Pw_forum] any good paper on "non-collinear" using PWSCF?
TuanAnh Pham
- [Pw_forum] any good paper on "non-collinear" using PWSCF?
lfhuang
- [Pw_forum] any good paper on "non-collinear" using PWSCF?
Gabriele Sclauzero
- [Pw_forum] any good paper on "non-collinear" using PWSCF?
lfhuang
- [Pw_forum] any good paper on "non-collinear" using PWSCF?
lfhuang
- [Pw_forum] band and dos input files in xcrysden
Eduardo Ariel Menendez Proupin
- [Pw_forum] Band structure
潘登
- [Pw_forum] Band structure
Lorenzo Paulatto
- [Pw_forum] Band structure
潘登
- [Pw_forum] bands_FS.f90: Update
Eyvaz Isaev
- [Pw_forum] Can you help? (was "Fixed spin moment method & Phonon calculation")
Nicola Marzari
- [Pw_forum] Can't run any example in QE v4.0.4
Abdulrafiu RAJI
- [Pw_forum] Can't run any example in QE v4.0.4
Gabriele Sclauzero
- [Pw_forum] Can't run any example in QE v4.0.4
Giovanni Cantele
- [Pw_forum] cannot remap grid on k-point list
Ali Tavana
- [Pw_forum] cannot remap grid on k-point list
Paolo Giannozzi
- [Pw_forum] cannot remap grid on k-point list
Dal Corso Andrea
- [Pw_forum] character band.
Li YL
- [Pw_forum] character band.
Li YL
- [Pw_forum] character band.
Lex Kemper
- [Pw_forum] Character energy band.
Li YL
- [Pw_forum] Character energy band.
Prasenjit Ghosh
- [Pw_forum] Character energy band.
Gabriele Sclauzero
- [Pw_forum] Character energy band.
Gabriele Sclauzero
- [Pw_forum] charge transfer in GaAs from projwfc
G.Autes
- [Pw_forum] charge transfer in GaAs from projwfc
Paolo Giannozzi
- [Pw_forum] Choice of irreducible representations with ph.x
Cristian Degli Esposti Boschi
- [Pw_forum] Compilation Error - Cygwin - PGI 8.0.4 Compilers
snd2mra at yahoo.com
- [Pw_forum] Compilation Error - Cygwin - PGI 8.0.4 Compilers
Paolo Giannozzi
- [Pw_forum] Compilation Error - Cygwin - PGI 8.0.4 Compilers
yccheng.nju
- [Pw_forum] Compilation Error - Cygwin - PGI 8.0.4 Compilers
snd2mra at yahoo.com
- [Pw_forum] Compilation Error - Cygwin - PGI 8.0.4 Compilers
Axel Kohlmeyer
- [Pw_forum] Compilation Error - Cygwin - PGI 8.0.4 Compilers
Paolo Giannozzi
- [Pw_forum] Compilation of espresso-4.0.4
Amos Leffler
- [Pw_forum] Compilation of espresso-4.0.4
Axel Kohlmeyer
- [Pw_forum] Compilation of espresso-4.0.4
O. Baris Malcioglu
- [Pw_forum] Compilation of espresso-4.0.4
Axel Kohlmeyer
- [Pw_forum] Compiling QE 4.0.4
Amos Leffler
- [Pw_forum] Compiling QE 4.0.4
Axel Kohlmeyer
- [Pw_forum] compiling QE4.1
Carlo Nervi
- [Pw_forum] compiling QE4.1
Paolo Giannozzi
- [Pw_forum] compiling QE4.1
Carlo Nervi
- [Pw_forum] compiling QE4.1
Paolo Giannozzi
- [Pw_forum] contribute to the wiki !
Nicola Marzari
- [Pw_forum] converge problem in calculating the vacancy on TiO2 surfaces
vega lew
- [Pw_forum] converge problem in calculating the vacancy on TiO2 surfaces
vega lew
- [Pw_forum] converge problem in calculating the vacancy on TiO2 surfaces
vega lew
- [Pw_forum] converge problem in calculating the vacancy on TiO2 surfaces
lan haiping
- [Pw_forum] converge problem in calculating the vacancy on TiO2 surfaces
Eyvaz Isaev
- [Pw_forum] converge problem in calculating the vacancy on TiO2 surfaces
vega lew
- [Pw_forum] converge problem in calculating the vacancy on TiO2 surfaces
vega lew
- [Pw_forum] converge problem in calculating the vacancy on TiO2 surfaces
Ari Paavo Seitsonen
- [Pw_forum] converge problem in calculating the vacancy on TiO2 surfaces
Axel Kohlmeyer
- [Pw_forum] Defining an antiferromagnetic graphene nanoribbon
duchl06
- [Pw_forum] dipole moment calculation
Aihua Zhang
- [Pw_forum] dipole moment calculation
Giovanni Cantele
- [Pw_forum] dipole moment calculation
Aihua Zhang
- [Pw_forum] dipole moment calculation
Giovanni Cantele
- [Pw_forum] dipole moment calculation
umari at democritos.it
- [Pw_forum] dipole moment calculation
Aihua Zhang
- [Pw_forum] dipole moment calculation
Lorenzo Paulatto
- [Pw_forum] dipole moment calculation
Aihua Zhang
- [Pw_forum] dipole moment calculation
Aihua Zhang
- [Pw_forum] DMFT+LDA
S. K. S.
- [Pw_forum] DMFT+LDA
Dmitry Korotin
- [Pw_forum] DMFT+LDA
DdrSmiLe
- [Pw_forum] DMFT+LDA
lan haiping
- [Pw_forum] DMFT+LDA
Dmitry Korotin
- [Pw_forum] DMFT+LDA
Paolo Giannozzi
- [Pw_forum] DMFT+LDA
Huiqun Zhou
- [Pw_forum] DMFT+LDA
Paolo Giannozzi
- [Pw_forum] DMFT+LDA
Huiqun Zhou
- [Pw_forum] DMFT+LDA
Paolo Giannozzi
- [Pw_forum] Do you think Intel I7 series could improve the parallel efficiency
Paul M. Grant
- [Pw_forum] Do you think Intel I7 series could improve the parallel efficiency
vega lew
- [Pw_forum] Do you think Intel I7 series could improve the parallel efficiency
O. Baris Malcioglu
- [Pw_forum] Do you think Intel I7 series could improve the parallel efficiency
Nicola Marzari
- [Pw_forum] Do you think Intel I7 series could improve the parallel efficiency
vega lew
- [Pw_forum] Do you think Intel I7 series could improve the parallel efficiency
vega lew
- [Pw_forum] Do you think Intel I7 series could improve the parallel efficiency
Nicola Marzari
- [Pw_forum] Do you think Intel I7 series could improve the parallel efficiency
vega lew
- [Pw_forum] Do you think Intel I7 series could improve the parallel efficiency
Axel Kohlmeyer
- [Pw_forum] Do you think Intel I7 series could improve the parallel efficiency
Axel Kohlmeyer
- [Pw_forum] DOS calculation for non collinear magnetic ordering
Xun-Wang Yan
- [Pw_forum] DOS calculation for non collinear magnetic ordering
Gabriele Sclauzero
- [Pw_forum] DOS calculation for non collinear magnetic ordering
Xun-Wang Yan
- [Pw_forum] electrical polarization calculations for non-collinear magnetism
Xun-Wang Yan
- [Pw_forum] electrical polarization calculations for non-collinear magnetism
Paolo Giannozzi
- [Pw_forum] electrical polarization calculations for non-collinear magnetism
Xun-Wang Yan
- [Pw_forum] electrical polarization calculations for non-collinear magnetism
Xun-Wang Yan
- [Pw_forum] electrical polarization calculations for non-collinear magnetism
Gabriele Sclauzero
- [Pw_forum] error about band calculation with pw.x
Lu Yunhao
- [Pw_forum] error about band calculation with pw.x
Axel Kohlmeyer
- [Pw_forum] Error in ph.x calculation.
MATEUS JOSÉ FERNANDES MARTINS
- [Pw_forum] Error in ph.x calculation.
Lorenzo Paulatto
- [Pw_forum] Error in User Guide - ibrav
Andre Saraiva
- [Pw_forum] Error in User Guide - ibrav
Lex Kemper
- [Pw_forum] Error in User Guide - ibrav
Paolo Giannozzi
- [Pw_forum] Error in User Guide - ibrav
also at if.ufrj.br
- [Pw_forum] Error in User Guide - ibrav
Tone Kokalj
- [Pw_forum] Error in User Guide - ibrav
also at if.ufrj.br
- [Pw_forum] Error in User Guide - ibrav
Tone Kokalj
- [Pw_forum] Error in User Guide - ibrav
Paolo Giannozzi
- [Pw_forum] Error:too many bands are not converged
idoldog
- [Pw_forum] Error:too many bands are not converged
idoldog
- [Pw_forum] Error:too many bands are not converged
lan haiping
- [Pw_forum] Error:too many bands are not converged
idoldog
- [Pw_forum] Error:too many bands are not converged
Paolo Giannozzi
- [Pw_forum] Error:too many bands are not converged
idoldog
- [Pw_forum] Fe PP
Giovanni Barcaro
- [Pw_forum] finite temperature DFT
戴佳钰
- [Pw_forum] finite temperature DFT
戴佳钰
- [Pw_forum] finite temperature DFT
戴佳钰
- [Pw_forum] finite temperature DFT
Nicola Marzari
- [Pw_forum] finite temperature DFT
Jiayu Dai
- [Pw_forum] finite temperature DFT
lan haiping
- [Pw_forum] finite temperature DFT
Yan
- [Pw_forum] finite temperature DFT
Paolo Giannozzi
- [Pw_forum] fixed spin moment calculation
yumin qian
- [Pw_forum] fixed spin moment calculation
Gabriele Sclauzero
- [Pw_forum] fixed spin moment calculation
yumin qian
- [Pw_forum] fixed spin moment calculation
yumin qian
- [Pw_forum] fixed spin moment calculation
Gabriele Sclauzero
- [Pw_forum] fixed spin moment calculation
yumin qian
- [Pw_forum] fixed spin moment calculation
e kb
- [Pw_forum] fixed spin moment calculation
Gabriele Sclauzero
- [Pw_forum] fixed spin moment calculation
yumin qian
- [Pw_forum] fixed spin moment calculation
yumin qian
- [Pw_forum] Fixed spin moment method & Phonon calculation
Subhradip Ghosh
- [Pw_forum] force and stress in the Berry phase method
hanghui chen
- [Pw_forum] force and stress in the Berry phase method
Stefano Baroni
- [Pw_forum] Format data/koint and band energy in nscf calculation/ koint and band energy in bands.dat
lan haiping
- [Pw_forum] Format data/koint and band energy in nscf calculation/ koint and band energy in bands.dat
Gabriele Sclauzero
- [Pw_forum] Format data/koint and band energy in nscf calculation/ koint and band energy in bands.dat
Gabriele Sclauzero
- [Pw_forum] Format data/koint and band energy in nscf calculation/ koint and band energy in bands.dat
Lorenzo Paulatto
- [Pw_forum] Format data/koint and band energy in nscf calculation/ koint and band energy in bands.dat
nazari at iasbs.ac.ir
- [Pw_forum] forrtl: severe (59)
潘登
- [Pw_forum] forrtl: severe (59)
Paolo Giannozzi
- [Pw_forum] Fw: nimage is larger than the available number of images?
J. J. Ramsey
- [Pw_forum] Fw: nimage is larger than the available number of images?
Gabriele Sclauzero
- [Pw_forum] Fwd:
Asha gupta
- [Pw_forum] Fwd:
潘登
- [Pw_forum] Fwd:
Prasenjit Ghosh
- [Pw_forum] Fwd:
MATEUS JOSÉ FERNANDES MARTINS
- [Pw_forum] Fwd: inconsistent DFT read
Giovanni Cantele
- [Pw_forum] Fwd: inconsistent DFT read
Prasenjit Ghosh
- [Pw_forum] help
cdm_mail
- [Pw_forum] Hi!I would like to cease the acception of Pwscf forum message
r95222066 at ntu.edu.tw
- [Pw_forum] Hi!I would like to cease the acception of Pwscf forum message
Paolo Giannozzi
- [Pw_forum] How to change velocities of specified ions ?
lan haiping
- [Pw_forum] How to change velocities of specified ions ?
Paolo Giannozzi
- [Pw_forum] How to get the interatomic force constant tensor?
jin li
- [Pw_forum] How to get the interatomic force constant tensor?
Eyvaz Isaev
- [Pw_forum] how to use fqha.x
lidonglin556
- [Pw_forum] how to use fqha.x
Huiqun Zhou
- [Pw_forum] how to use fqha.x
Eyvaz Isaev
- [Pw_forum] How to use tools dipole.x, voronoy.x and epsilon.x?
Weiguang Chen
- [Pw_forum] How to use tools dipole.x, voronoy.x and epsilon.x?
Paolo Giannozzi
- [Pw_forum] How to use tools dipole.x, voronoy.x and epsilon.x?
Weiguang Chen
- [Pw_forum] How to use tools dipole.x, voronoy.x and epsilon.x?
Paolo Giannozzi
- [Pw_forum] How to use tools dipole.x, voronoy.x and epsilon.x?
Weiguang Chen
- [Pw_forum] HSE pseudopotentials
shangy
- [Pw_forum] HSE pseudopotentials
Axel Kohlmeyer
- [Pw_forum] HSE pseudopotentials
shangy
- [Pw_forum] HSE pseudopotentials
Axel Kohlmeyer
- [Pw_forum] HSE pseudopotentials
shangy
- [Pw_forum] HSE pseudopotentials + BNL functional
Helen
- [Pw_forum] HSE pseudopotentials + BNL functional
Stefano de Gironcoli
- [Pw_forum] HSE pseudopotentials + BNL functional
shangy
- [Pw_forum] HSE pseudopotentials + BNL functional
Helen
- [Pw_forum] HSE pseudopotentials + BNL functional
Helen
- [Pw_forum] HSE pseudopotentials + BNL functional
Stefano de Gironcoli
- [Pw_forum] HUMO and LUMO
Álvaro Alves
- [Pw_forum] HUMO and LUMO
Álvaro Alves
- [Pw_forum] HUMO and LUMO
Axel Kohlmeyer
- [Pw_forum] HUMO and LUMO
Lorenzo Paulatto
- [Pw_forum] HUMO and LUMO
Lorenzo Paulatto
- [Pw_forum] I can't print my bands
Pieremanuele Canepa
- [Pw_forum] I can't print my bands
Gabriele Sclauzero
- [Pw_forum] I can't print my bands
Pieremanuele Canepa
- [Pw_forum] I can't print my bands
Gabriele Sclauzero
- [Pw_forum] I can't print my bands
Pieremanuele Canepa
- [Pw_forum] I can't print my bands
Gabriele Sclauzero
- [Pw_forum] I can't print my bands
Jiayu Dai
- [Pw_forum] I can't print my bands
Pieremanuele Canepa
- [Pw_forum] I can't print my bands
pc229 at kent.ac.uk
- [Pw_forum] I can't print my bands
Gabriele Sclauzero
- [Pw_forum] I can't print my bands
Pieremanuele Canepa
- [Pw_forum] I can't print my bands
Eyvaz Isaev
- [Pw_forum] I can't print my bands
Paolo Giannozzi
- [Pw_forum] I can't print my bands
Pieremanuele Canepa
- [Pw_forum] I can't print my bands
Paolo Giannozzi
- [Pw_forum] I can't print my bands
pc229 at kent.ac.uk
- [Pw_forum] I/O problem with qe 4.0.4
merlin meheut
- [Pw_forum] I/O problem with qe 4.0.4
Axel Kohlmeyer
- [Pw_forum] Installation of PWgui
Carlo Nervi
- [Pw_forum] Installation of PWgui
Paolo Giannozzi
- [Pw_forum] Installation of PWgui
Tone Kokalj
- [Pw_forum] Installation of PWgui
Carlo Nervi
- [Pw_forum] internal position after relax
Djani Ait Aissa Hania
- [Pw_forum] internal position after relax
Lorenzo Paulatto
- [Pw_forum] internal position after relax
Tone Kokalj
- [Pw_forum] internal position after relax
Tone Kokalj
- [Pw_forum] interpretation of the file containing the real space force constants
Eric Landry
- [Pw_forum] interpretation of the file containing the real space force constants
Eric Landry
- [Pw_forum] interpretation of the file containing the real space force constants
Eric Landry
- [Pw_forum] interpretation of the file containing the real space force constants
Paolo Giannozzi
- [Pw_forum] interpretation of the file containing the real space force constants
Paolo Giannozzi
- [Pw_forum] introducing QE-forge
Stefano Baroni
- [Pw_forum] ld1.x & US requires...
Paul M. Grant
- [Pw_forum] ld1.x & US requires...
Paolo Giannozzi
- [Pw_forum] ld1.x & US requires...
Paul M. Grant
- [Pw_forum] ld1.x & US requires...
Paolo Giannozzi
- [Pw_forum] ld1.x & US requires...
Paul M. Grant
- [Pw_forum] ld1.x & US requires...
e kb
- [Pw_forum] LDA+U
Mansoureh Pashangpour
- [Pw_forum] LDA+U
Gabriele Sclauzero
- [Pw_forum] LDA+U & Phonons
Paul M. Grant
- [Pw_forum] LDA+U & Phonons
Andrea Floris
- [Pw_forum] LDA+U & Phonons
Paul M. Grant
- [Pw_forum] Line 325 in bands_FS.f90
Paul M. Grant
- [Pw_forum] Line 325 in bands_FS.f90
Axel Kohlmeyer
- [Pw_forum] Line 325 in bands_FS.f90
Eyvaz Isaev
- [Pw_forum] Line 325 in bands_FS.f90
Eyvaz Isaev
- [Pw_forum] Line 325 in bands_FS.f90
Paul M. Grant
- [Pw_forum] Line 325 in bands_FS.f90
Eyvaz Isaev
- [Pw_forum] Line 325 in bands_FS.f90
Paolo Giannozzi
- [Pw_forum] March American Physical Society Meeting, 3/15-20
Paul M. Grant
- [Pw_forum] mpi problems
Carlo Nervi
- [Pw_forum] multiplicity
Ihsan Erikat
- [Pw_forum] multiplicity
Paolo Giannozzi
- [Pw_forum] new unit-cell volume in variable cell relaxation
Eduardo Ariel Menendez Proupin
- [Pw_forum] new unit-cell volume in variable cell relaxation
Paolo Giannozzi
- [Pw_forum] newbie - installation problem
Carlo Nervi
- [Pw_forum] newbie - installation problem
Lorenzo Paulatto
- [Pw_forum] newbie - installation problem
Carlo Nervi
- [Pw_forum] newbie - installation problem
Axel Kohlmeyer
- [Pw_forum] newbie - installation problem
Paolo Giannozzi
- [Pw_forum] newbie - installation problem
Carlo Nervi
- [Pw_forum] newbie - installation problem
Axel Kohlmeyer
- [Pw_forum] newbie - installation problem
Carlo Nervi
- [Pw_forum] newbie - installation problem
Axel Kohlmeyer
- [Pw_forum] newbie - installation problem
Lorenzo Paulatto
- [Pw_forum] newbie update
Carlo Nervi
- [Pw_forum] newbie update
JR Schmidt
- [Pw_forum] newbie update
Axel Kohlmeyer
- [Pw_forum] newbie update
Axel Kohlmeyer
- [Pw_forum] newbie update
Lex Kemper
- [Pw_forum] newbie update
Axel Kohlmeyer
- [Pw_forum] newbie update
JR Schmidt
- [Pw_forum] newbie update
Lex Kemper
- [Pw_forum] newbie update
Axel Kohlmeyer
- [Pw_forum] newbie update
Henning Glawe
- [Pw_forum] newbie update
Lorenzo Paulatto
- [Pw_forum] newbie update
Henning Glawe
- [Pw_forum] newbie update
Carlo Nervi
- [Pw_forum] newbie update
Paolo Giannozzi
- [Pw_forum] newbie update
Carlo Nervi
- [Pw_forum] newbie update
Axel Kohlmeyer
- [Pw_forum] newbie update
Axel Kohlmeyer
- [Pw_forum] newbie update
Carlo Nervi
- [Pw_forum] newbie update
Paolo Giannozzi
- [Pw_forum] newbie update
Carlo Nervi
- [Pw_forum] nimage is larger than the available number of images?
J. J. Ramsey
- [Pw_forum] parallelization issues
Gabriele Sclauzero
- [Pw_forum] parallelization issues
Stefano de Gironcoli
- [Pw_forum] parallelization issues
Mahmoud Payami
- [Pw_forum] parallelization issues
Mahmoud Payami
- [Pw_forum] PBE0 in PWSCF
xinzheng li
- [Pw_forum] PBE0 in PWSCF
Stefano de Gironcoli
- [Pw_forum] Permanent Research Fellow position in nanomagnetism
BARRETEAU Cyrille
- [Pw_forum] phonon
Mansoureh Pashangpour
- [Pw_forum] phonon
潘登
- [Pw_forum] phonon
lan haiping
- [Pw_forum] phonon
Mansoureh Pashangpour
- [Pw_forum] phonon
Eyvaz Isaev
- [Pw_forum] phonon
潘登
- [Pw_forum] Phonon branch enumeration
Jeffrey Mullen
- [Pw_forum] Phonon branch enumeration
e kb
- [Pw_forum] Phonon branch enumeration
Jeffrey Mullen
- [Pw_forum] Phonon branch enumeration
Paolo Giannozzi
- [Pw_forum] Phonon branch enumeration
Dal Corso Andrea
- [Pw_forum] Phonon branch enumeration
Jeffrey Mullen
- [Pw_forum] Phonon branch enumeration
Stefano Baroni
- [Pw_forum] PP for Planar average of all |psi|^2
Sujata Paul
- [Pw_forum] PP for Planar average of all |psi|^2
Paolo Giannozzi
- [Pw_forum] PP for Planar average of all |psi|^2
sujata Paul
- [Pw_forum] PP for Planar average of all |psi|^2
Gabriele Sclauzero
- [Pw_forum] Problem with dynamical matrix file.
MATEUS JOSÉ FERNANDES MARTINS
- [Pw_forum] Problem with dynamical matrix file.
Paolo Giannozzi
- [Pw_forum] Problem with dynamical matrix file.
MATEUS JOSÉ FERNANDES MARTINS
- [Pw_forum] Problem with dynamical matrix file.
MATEUS JOSÉ FERNANDES MARTINS
- [Pw_forum] Problem with dynamical matrix file.
Paolo Giannozzi
- [Pw_forum] Problem with the Band Structure Calculation
潘登
- [Pw_forum] Problem with the Band Structure Calculation
Gabriele Sclauzero
- [Pw_forum] Problem with the Band Structure Calculation
lan haiping
- [Pw_forum] Problem with the Band Structure Calculation
Lorenzo Paulatto
- [Pw_forum] Problem with the Band Structure Calculation
lan haiping
- [Pw_forum] Problem with the Band Structure Calculation
潘登
- [Pw_forum] Problem with the Band Structure Calculation
Gabriele Sclauzero
- [Pw_forum] Problem with the Band Structure Calculation
潘登
- [Pw_forum] Problem with the Band Structure Calculation
Gabriele Sclauzero
- [Pw_forum] Problem with the Band Structure Calculation
潘登
- [Pw_forum] Problem with the Band Structure Calculation
Gabriele Sclauzero
- [Pw_forum] Problem with the Band Structure Calculation
lan haiping
- [Pw_forum] Problem with the Band Structure Calculation
Paolo Giannozzi
- [Pw_forum] Problem with the Band Structure Calculation
Lex Kemper
- [Pw_forum] Problem with the Band Structure Calculation
潘登
- [Pw_forum] Problem with the Band Structure Calculation
Lex Kemper
- [Pw_forum] Problem with the Band Structure Calculation
潘登
- [Pw_forum] Problem with the Band Structure Calculation
O. Baris Malcioglu
- [Pw_forum] pseudopotential for Ce
Prasenjit Ghosh
- [Pw_forum] pseudopotential for Ce
Stefano Fabris
- [Pw_forum] Pw_forum Digest, Vol 21, Issue 81
ding yi
- [Pw_forum] pwcond calculations about the transmission in two seperated spin channels
Erjun Kan
- [Pw_forum] pwcond calculations about the transmission in two seperated spin channels
Gabriele Sclauzero
- [Pw_forum] QHA code
Eyvaz Isaev
- [Pw_forum] QHA in qe-forge
Eyvaz Isaev
- [Pw_forum] question about electron phonon calculation
Xiang-Feng Zhou
- [Pw_forum] question about electron phonon calculation
hqzhou
- [Pw_forum] question about electron phonon calculation
Gabriele Sclauzero
- [Pw_forum] question about electron phonon calculation
Huiqun Zhou
- [Pw_forum] question about electron phonon calculation
Gabriele Sclauzero
- [Pw_forum] questions about the peseudopotential for potassium titanate
Stefano de Gironcoli
- [Pw_forum] questions about the peseudopotential for potassium titanate
Stefano de Gironcoli
- [Pw_forum] questions about the peseudopotential for potassium titanate
vega lew
- [Pw_forum] questions about the peseudopotential for potassium titanate
lan haiping
- [Pw_forum] questions about the peseudopotential for potassium titanate
vega lew
- [Pw_forum] questions about the peseudopotential for potassium titanate
Lex Kemper
- [Pw_forum] questions about the peseudopotential for potassium titanate
Axel Kohlmeyer
- [Pw_forum] Raman Intensity of mental
liquan777
- [Pw_forum] Raman Intensity of mental
Giuseppe Mattioli
- [Pw_forum] Raman Intensity of mental
Gabriele Sclauzero
- [Pw_forum] Raman Intensity of mental
liquan777
- [Pw_forum] Raman Intensity of mental
Paolo Giannozzi
- [Pw_forum] Raman Intensity of metal
liquan777
- [Pw_forum] Re : Problem with the Band Structure Calculation
Djani Ait Aissa Hania
- [Pw_forum] Re[Psi] and Im[Psi]
Aritz Leonardo Liceranzu
- [Pw_forum] Re[Psi] and Im[Psi]
Aritz Leonardo Liceranzu
- [Pw_forum] Re[Psi] and Im[Psi]
Paolo Giannozzi
- [Pw_forum] Re[Psi] and Im[Psi]
O. Baris Malcioglu
- [Pw_forum] Re[Psi] and Im[Psi]
Aritz Leonardo Liceranzu
- [Pw_forum] Restart calculation of LSDA
Gabriele Sclauzero
- [Pw_forum] roblem with bfgs algorithm optimizer for spin polarized system
pc229 at kent.ac.uk
- [Pw_forum] roblem with bfgs algorithm optimizer for spin polarized system
Giuseppe Mattioli
- [Pw_forum] roblem with bfgs algorithm optimizer for spin polarized system
Giuseppe Mattioli
- [Pw_forum] roblem with bfgs algorithm optimizer for spin polarized system
pc229 at kent.ac.uk
- [Pw_forum] roblem with bfgs algorithm optimizer for spin polarized system
Lorenzo Paulatto
- [Pw_forum] roblem with bfgs algorithm optimizer for spin polarized system
Lorenzo Paulatto
- [Pw_forum] roblem with bfgs algorithm optimizer for spin polarized system
pc229 at kent.ac.uk
- [Pw_forum] roblem with bfgs algorithm optimizer for spin polarized system
pc229 at kent.ac.uk
- [Pw_forum] SCF correction compared to forces is too large, reduce conv_thr
artee sharma
- [Pw_forum] SCF correction compared to forces is too large, reduce conv_thr
Asha gupta
- [Pw_forum] SCF correction compared to forces is too large, reduce conv_thr
artee sharma
- [Pw_forum] SCF correction compared to forces is too large, reduce conv_thr
Stefano de Gironcoli
- [Pw_forum] SCF correction compared to forces is too large, reduce conv_thr
Stefano de Gironcoli
- [Pw_forum] SCF correction compared to forces is too large, reduce conv_thr
Yan
- [Pw_forum] separate the surface state and surface resonance state from the bulk state
yaoyugui
- [Pw_forum] separate the surface state and surface resonance state from the bulk state
Stefano de Gironcoli
- [Pw_forum] Spacing in band structure
Naol Regassa
- [Pw_forum] Spacing in band structure
Gabriele Sclauzero
- [Pw_forum] Spacing in band structure
Resul Eryigit
- [Pw_forum] starting with espressso
piotrek at vega.umcs.lublin.pl
- [Pw_forum] starting with espressso
Paolo Giannozzi
- [Pw_forum] strange bandstructure
idoldog
- [Pw_forum] strange bandstructure
Marcel Mohr
- [Pw_forum] strange bandstructure
Lex Kemper
- [Pw_forum] strange bandstructure
Gabriele Sclauzero
- [Pw_forum] strange bandstructure
Gabriele Sclauzero
- [Pw_forum] strange bandstructure
idoldog
- [Pw_forum] strange bandstructure
idoldog
- [Pw_forum] stress and electric field
hanghui chen
- [Pw_forum] stress and electric field (paolo umari)
umari at democritos.it
- [Pw_forum] stress and mimimun of total energy
hanghui chen
- [Pw_forum] stress in the Berry phase method
hanghui chen
- [Pw_forum] surface calculations
isaac motochi
- [Pw_forum] surface calculations
Giuseppe Mattioli
- [Pw_forum] surface calculations
Giuseppe Mattioli
- [Pw_forum] surface calculations
lan haiping
- [Pw_forum] surface calculations
Miguel Martínez
- [Pw_forum] surface calculations
yccheng.nju
- [Pw_forum] surface calculations
isaac motochi
- [Pw_forum] Symmetry problem
孙阳
- [Pw_forum] Symmetry problem
Yan
- [Pw_forum] Symmetry problem
Stefano de Gironcoli
- [Pw_forum] TBPW program of Prof. Richard Martin of UIUC
Nay Lin
- [Pw_forum] TBPW program of Prof. Richard Martin of UIUC
Paolo Giannozzi
- [Pw_forum] TBPW program of Prof. Richard Martin of UIUC
Nichols A. Romero
- [Pw_forum] the dynmaical matrix are like "***********" when thephonons calculation at gama
Huiqun Zhou
- [Pw_forum] the dynmaical matrix are like "***********" when the phonons calculation at gama
xu yuehua
- [Pw_forum] the dynmaical matrix are like "***********" when the phonons calculation at gama
Eyvaz Isaev
- [Pw_forum] the dynmaical matrix are like "***********" when the phonons calculation at gama
xu yuehua
- [Pw_forum] the dynmaical matrix are like "***********" when the phonons calculation at gama
xu yuehua
- [Pw_forum] the dynmaical matrix are like "***********" when the phonons calculation at gama
Paolo Giannozzi
- [Pw_forum] The Number of iteraions
潘登
- [Pw_forum] The Number of iteraions
Lorenzo Paulatto
- [Pw_forum] The Number of iteraions
vega lew
- [Pw_forum] The top of VB in total DOS differ from one inprojection DOS
idoldog
- [Pw_forum] The top of VB in total DOS differ from one in projection DOS
idoldog
- [Pw_forum] The top of VB in total DOS differ from one in projection DOS
Lorenzo Paulatto
- [Pw_forum] thermo.x
lidonglin556
- [Pw_forum] thermo.x
Axel Kohlmeyer
- [Pw_forum] timing vs QE version vs pools
Giovanni Cantele
- [Pw_forum] timing vs QE version vs pools
Paolo Giannozzi
- [Pw_forum] timing vs QE version vs pools
Marino Vetuschi Zuccolini
- [Pw_forum] timing vs QE version vs pools
Giovanni Cantele
- [Pw_forum] timing vs QE version vs pools
Giovanni Cantele
- [Pw_forum] timing vs QE version vs pools
Giovanni Cantele
- [Pw_forum] timing vs QE version vs pools
Paolo Giannozzi
- [Pw_forum] unit-printing error?
Karoly Nemeth
- [Pw_forum] unit-printing error?
Stefano de Gironcoli
- [Pw_forum] unit-printing error?
Karoly Nemeth
- [Pw_forum] US j -average not yet implemented
artee sharma
- [Pw_forum] US j -average not yet implemented
e kb
- [Pw_forum] US j -average not yet implemented
Gabriele Sclauzero
- [Pw_forum] US j -average not yet implemented
artee sharma
- [Pw_forum] US j -average not yet implemented
artee sharma
- [Pw_forum] Use of pool
Huiqun Zhou
- [Pw_forum] Use of pool
Axel Kohlmeyer
- [Pw_forum] Use of pool
Huiqun Zhou
- [Pw_forum] USPP
S. K. S.
- [Pw_forum] ussp files
artee sharma
- [Pw_forum] ussp files
Giuseppe Mattioli
- [Pw_forum] ussp files
artee sharma
- [Pw_forum] utilization of different Ultrasoft pseudopotentials
saqib.javaid at ipcms.u-strasbg.fr
- [Pw_forum] utilization of different Ultrasoft pseudopotentials
Marcel Mohr
- [Pw_forum] utilization of different Ultrasoft pseudopotentials
Axel Kohlmeyer
- [Pw_forum] utilization of different Ultrasoft pseudopotentials
Axel Kohlmeyer
- [Pw_forum] where is the instructions for dynmat.x
vega lew
- [Pw_forum] where is the instructions for dynmat.x
Yan
- [Pw_forum] where is the instructions for dynmat.x
vega lew
- [Pw_forum] where is the instructions for dynmat.x
Axel Kohlmeyer
- [Pw_forum] where is the instructions for dynmat.x
Yan
- [Pw_forum] where is the instructions for dynmat.x
vega lew
- [Pw_forum] wrong record length
Marci
- [Pw_forum] wrong record length
Axel Kohlmeyer
- [Pw_forum] wrong record length
Marci
- [Pw_forum] wrong record length
Lex Kemper
- [Pw_forum] wrong record length
Axel Kohlmeyer
- [Pw_forum] wrong record length
Paolo Giannozzi
- [Pw_forum] wrong record length
Marci
- [Pw_forum] Xcrsyden
Álvaro Alves
- [Pw_forum] Xcrsyden
Gabriele Sclauzero
- [Pw_forum] Xcrsyden
Tone Kokalj
- [Pw_forum] xcrysden+cygwin can't display relax process
Dr. Shu-jun Hu
- [Pw_forum] xcrysden+cygwin can't display relax process
Lex Kemper
- [Pw_forum] xcrysden+cygwin can't display relax process
Gabriele Sclauzero
- [Pw_forum] xcrysden+cygwin can't display relax process
Paolo Giannozzi
- [Pw_forum] xcrysden+cygwin can't display relax process
Tone Kokalj
Last message date:
Tue Mar 31 14:57:11 CEST 2009
Archived on: Tue Mar 31 15:06:16 CEST 2009
This archive was generated by
Pipermail 0.09 (Mailman edition).