July 2009 Archives by author
Starting: Wed Jul 1 00:19:56 CEST 2009
Ending: Fri Jul 31 23:06:15 CEST 2009
Messages: 297
- No subject
- No subject
- No subject
- No subject
- No subject
- No subject
- No subject
- [Pw_forum] XCrysDen
MAHASIN ALAM
- [Pw_forum] XCrysDen
MAHASIN ALAM
- [Pw_forum] IMPORTANT ANNOUNCEMENT
Stefano Baroni
- [Pw_forum] DOS Calculation in W90
Sumanta Bhandary
- [Pw_forum] Fwd: Help required
Somesh Kumar Bhattacharya
- [Pw_forum] Fwd: Help required
Somesh Kumar Bhattacharya
- [Pw_forum] Fwd: Help required
Somesh Kumar Bhattacharya
- [Pw_forum] About fhi2upf.x
john Bob
- [Pw_forum] About fhi2upf.x
john Bob
- [Pw_forum] Units in dynamical matrix files
Cristian Degli Esposti Boschi
- [Pw_forum] Symmetry of the dynamical matrix
Cristian Degli Esposti Boschi
- [Pw_forum] Chosing outpu file using the -in/input option
Sylvian Cadars
- [Pw_forum] Sujet : Re: Chosing output file using the -in/input option
Sylvian Cadars
- [Pw_forum] Chosing output file name using the -in/input option
Sylvian Cadars
- [Pw_forum] Strain calculation through quantum espresso
Giovanni Cantele
- [Pw_forum] Bismuth Titanate Structure
Giovanni Cantele
- [Pw_forum] Compilation using -DEXX
Giovanni Cantele
- [Pw_forum] U
Matteo Cococcioni
- [Pw_forum] LDA+U
Matteo Cococcioni
- [Pw_forum] occupation
Matteo Cococcioni
- [Pw_forum] occupation
Matteo Cococcioni
- [Pw_forum] GW
Adriano Mosca Conte
- [Pw_forum] RE : Stoner parameter estimation
BARRETEAU Cyrille
- [Pw_forum] correction to functional.f90 (4.1): optx identified as a meta-GGA functional
Latévi Max LAWSON DAKU
- [Pw_forum] correction to functional.f90 (4.1): optx identified as a meta-GGA functional
Latévi Max LAWSON DAKU
- [Pw_forum] V pseudopotential
Jun Dai
- [Pw_forum] V pseudopotential
Jun Dai
- [Pw_forum] Projwfc and NaN's
Andrea Ferretti
- [Pw_forum] inconsistent bands and DOS...
Gokhan GOKOGLU
- [Pw_forum] inconsistent bands and DOS...
Gokhan GOKOGLU
- [Pw_forum] inconsistent bands and DOS...
Gokhan GOKOGLU
- [Pw_forum] WIEN2k interface
Paolo Giannozzi
- [Pw_forum] Stress calculation in quantum espresso
Paolo Giannozzi
- [Pw_forum] Elastic Constant Calculation Problem
Paolo Giannozzi
- [Pw_forum] force constant output
Paolo Giannozzi
- [Pw_forum] Error in output in calculating stress
Paolo Giannozzi
- [Pw_forum] Strain calculation through quantum espresso
Paolo Giannozzi
- [Pw_forum] Errors in examples of QuantumEspresso
Paolo Giannozzi
- [Pw_forum] Units in dynamical matrix files
Paolo Giannozzi
- [Pw_forum] Units in dynamical matrix files
Paolo Giannozzi
- [Pw_forum] Questions regarding max_irr_dim
Paolo Giannozzi
- [Pw_forum] How can I set 'tot_magnetization' in advance
Paolo Giannozzi
- [Pw_forum] Errors in PS-KS equation
Paolo Giannozzi
- [Pw_forum] Problem In Creating Proper Structure in Xcrysden
Paolo Giannozzi
- [Pw_forum] Problem in compilation
Paolo Giannozzi
- [Pw_forum] Generating k points for the full first brillouin zone
Paolo Giannozzi
- [Pw_forum] Sujet : Re: Chosing output file using the -in/input option
Paolo Giannozzi
- [Pw_forum] a problem with 64-bit OS by multiprocess calculation
Paolo Giannozzi
- [Pw_forum] Chosing output file name using the -in/input option
Paolo Giannozzi
- [Pw_forum] opium
Paolo Giannozzi
- [Pw_forum] opiu
Paolo Giannozzi
- [Pw_forum] nsfd
Paolo Giannozzi
- [Pw_forum] Bismuth Titanate Structure
Paolo Giannozzi
- [Pw_forum] Errors in PS-KS equation
Paolo Giannozzi
- [Pw_forum] epsilon calculation
Paolo Giannozzi
- [Pw_forum] failure with NCPP
Paolo Giannozzi
- [Pw_forum] correction to functional.f90 (4.1): optx identified as a meta-GGA functional
Paolo Giannozzi
- [Pw_forum] inconsistent bands and DOS...
Paolo Giannozzi
- [Pw_forum] inconsistent bands and DOS...
Paolo Giannozzi
- [Pw_forum] Fwd: Mixed MPI-OpenMP
Paolo Giannozzi
- [Pw_forum] Fwd: Mixed MPI-OpenMP
Paolo Giannozzi
- [Pw_forum] Pw_forum Digest, Vol 25, Issue 39
Paolo Giannozzi
- [Pw_forum] (no subject)
Paolo Giannozzi
- [Pw_forum] About fhi2upf.x
Paolo Giannozzi
- [Pw_forum] About fhi2upf.x
Paolo Giannozzi
- [Pw_forum] About fhi2upf.x
Paolo Giannozzi
- [Pw_forum] failure with npool
Paolo Giannozzi
- [Pw_forum] failure with npool
Paolo Giannozzi
- [Pw_forum] Dear all, can someone tell me why my force for the relax calculation get to NAN?
Paolo Giannozzi
- [Pw_forum] Intallation on Itanium Processor
Paolo Giannozzi
- [Pw_forum] Dear all, anybody knows what is the unit for the spin polarzation and charge density for the plotting file provided by pp.x?
Paolo Giannozzi
- [Pw_forum] failure with npool
Paolo Giannozzi
- [Pw_forum] failure with npool
Paolo Giannozzi
- [Pw_forum] graphene phonon dispersion problem
Paolo Giannozzi
- [Pw_forum] wrong record length
Paolo Giannozzi
- [Pw_forum] Does anybody have the same problem for the relax calculation about the atom force
Paolo Giannozzi
- [Pw_forum] Does anybody have the same problem for the relax calculation about the atom force
Paolo Giannozzi
- [Pw_forum] Wavefunction file
Paolo Giannozzi
- [Pw_forum] Does anybody have the same problem for the relax calculation about the atom force
Paolo Giannozzi
- [Pw_forum] Does anybody have the same problem for the relax calculation about the atom force
Paolo Giannozzi
- [Pw_forum] Pseudopotentials with negative "Max angular momentum component"?
Paolo Giannozzi
- [Pw_forum] Symmetry of the dynamical matrix
Paolo Giannozzi
- [Pw_forum] Error with band.x
Paolo Giannozzi
- [Pw_forum] Error with band.x
Paolo Giannozzi
- [Pw_forum] Does anybody have the same problem for the relax calculation about the atom force
Paolo Giannozzi
- [Pw_forum] Fwd: Help required
Paolo Giannozzi
- [Pw_forum] Error with band.x
Paolo Giannozzi
- [Pw_forum] Error in DOS calculation
Paolo Giannozzi
- [Pw_forum] *.fc file in PW_SCF help.
Paolo Giannozzi
- [Pw_forum] Volume in a supercell
Paolo Giannozzi
- [Pw_forum] qustions about the initio magnetization of ion
Stefano de Gironcoli
- [Pw_forum] Not getting right Band structure
Stefano de Gironcoli
- [Pw_forum] tetragonal
Seyed Javad Hashemifar
- [Pw_forum] About LDA and GGA
Seyed Javad Hashemifar
- [Pw_forum] norm conserving
Seyed Javad Hashemifar
- [Pw_forum] Problem in energy conservation in NVE MD using cp.x
SAKUMA Hiroshi
- [Pw_forum] Problem in energy conservation in NVE MD using cp.x
SAKUMA Hiroshi
- [Pw_forum] qustions about the initio magnetization of ion
Dr. Shu-jun Hu
- [Pw_forum] questions about the initio magnetization of ion
Dr. Shu-jun Hu
- [Pw_forum] GW
Federico Iori
- [Pw_forum] Error in dynmat.x calculation.
Eyvaz Isaev
- [Pw_forum] the sum of the born effective charge in phonon calculation
Eyvaz Isaev
- [Pw_forum] e-ph methode
Eyvaz Isaev
- [Pw_forum] wrong record length
Ary Junior
- [Pw_forum] Projwfc and NaN's
Lex Kemper
- [Pw_forum] Projwfc and NaN's
Lex Kemper
- [Pw_forum] About LDA and GGA
Lex Kemper
- [Pw_forum] Chosing outpu file using the -in/input option
Lex Kemper
- [Pw_forum] Problem In Creating Proper Structure in Xcrysden
Lex Kemper
- [Pw_forum] Generating k points for the full first brillouin zone
Lex Kemper
- [Pw_forum] Error in output in calculating stress
Axel Kohlmeyer
- [Pw_forum] cholesky decomposition
Axel Kohlmeyer
- [Pw_forum] a problem with 64-bit OS by multiprocess calculation
Axel Kohlmeyer
- [Pw_forum] nsfd
Axel Kohlmeyer
- [Pw_forum] failure with npool
Axel Kohlmeyer
- [Pw_forum] How can I set 'tot_magnetization' in advance
Mail List
- [Pw_forum] Questions regarding max_irr_dim
Miguel Martínez
- [Pw_forum] the sum of the born effective charge in phonon calculation
Nicola Marzari
- [Pw_forum] U
Nicola Marzari
- [Pw_forum] Error : from cdiaghg : error #363, info =/= 0
Nicola Marzari
- [Pw_forum] Problem in energy conservation in NVE MD using cp.x
Nicola Marzari
- [Pw_forum] Problem in energy conservation in NVE MD using cp.x
Nicola Marzari
- [Pw_forum] Problem in energy conservation in NVE MD using cp.x
Nicola Marzari
- [Pw_forum] Dear All, question about the wannier90 use
Nicola Marzari
- [Pw_forum] Dear All, question about the wannier90 use
Nicola Marzari
- [Pw_forum] U
Giuseppe Mattioli
- [Pw_forum] V pseudopotential
Giuseppe Mattioli
- [Pw_forum] inconsistent bands and DOS...
Giuseppe Mattioli
- [Pw_forum] a problem with 64-bit OS by multiprocess calculation
Alexej Mazheika
- [Pw_forum] a problem with 64-bit OS by multiprocess calculation
Alexej Mazheika
- [Pw_forum] about elastic constant
Michael Mehl
- [Pw_forum] about elastic constant
Michael Mehl
- [Pw_forum] run_example
Rafael Dias Menezes
- [Pw_forum] Units in dynamical matrix files
Serge Nakhmanson
- [Pw_forum] Problem in compilation
Padmaja Patnaik
- [Pw_forum] Problem in compilation
Padmaja Patnaik
- [Pw_forum] Error: insufficient virtual memory
Padmaja Patnaik
- [Pw_forum] Stress calculation in quantum espresso
Lorenzo Paulatto
- [Pw_forum] Stress calculation in SCF
Lorenzo Paulatto
- [Pw_forum] About background charge
Lorenzo Paulatto
- [Pw_forum] vc-relax
Lorenzo Paulatto
- [Pw_forum] Units in dynamical matrix files
Lorenzo Paulatto
- [Pw_forum] Error : from cdiaghg : error #363, info =/= 0
Lorenzo Paulatto
- [Pw_forum] Chosing outpu file using the -in/input option
Lorenzo Paulatto
- [Pw_forum] XCrysDen
Lorenzo Paulatto
- [Pw_forum] Error : from cdiaghg : error #363, info =/= 0
Lorenzo Paulatto
- [Pw_forum] semicore
Lorenzo Paulatto
- [Pw_forum] Sujet : Re: Chosing output file using the -in/input option
Lorenzo Paulatto
- [Pw_forum] ncpp for Ag
Lorenzo Paulatto
- [Pw_forum] semicore
Lorenzo Paulatto
- [Pw_forum] xmgrace
Lorenzo Paulatto
- [Pw_forum] parallel execution of PWscf
Lorenzo Paulatto
- [Pw_forum] failure with npool
Lorenzo Paulatto
- [Pw_forum] Not getting right Band structure
Lorenzo Paulatto
- [Pw_forum] how to keep mails in the same thread
Lorenzo Paulatto
- [Pw_forum] Does anybody have the same problem for the relax calculation about the atom force
Lorenzo Paulatto
- [Pw_forum] Not getting right Band structure
Lorenzo Paulatto
- [Pw_forum] Wavefunction file
Lorenzo Paulatto
- [Pw_forum] plotting chargedensity
Lorenzo Paulatto
- [Pw_forum] Fwd: Help required
Lorenzo Paulatto
- [Pw_forum] Fwd: Help required
Lorenzo Paulatto
- [Pw_forum] Fwd: Help required
Lorenzo Paulatto
- [Pw_forum] Pw_forum Digest, Vol 25, Issue 39
Haowei Peng
- [Pw_forum] Strain calculation through quantum espresso (Giovanni Cantele)
Eduardo Ariel Menendez Proupin
- [Pw_forum] Fwd: Mixed MPI-OpenMP
Eduardo Ariel Menendez Proupin
- [Pw_forum] parallel execution of PWscf
Eduardo Ariel Menendez Proupin
- [Pw_forum] failure with npool
Eduardo Ariel Menendez Proupin
- [Pw_forum] failure with npool
Eduardo Ariel Menendez Proupin
- [Pw_forum] failure with npool
Eduardo Ariel Menendez Proupin
- [Pw_forum] how to keep mails in the same thread
Eduardo Ariel Menendez Proupin
- [Pw_forum] failure with npool
Eduardo Ariel Menendez Proupin
- [Pw_forum] About LDA and GGA
Bipul Rakshit
- [Pw_forum] about elastic constant
Bipul Rakshit
- [Pw_forum] about elastic constant
Bipul Rakshit
- [Pw_forum] about elastic constant
Bipul Rakshit
- [Pw_forum] Pseudopotentials with negative "Max angular momentum component"?
J. J. Ramsey
- [Pw_forum] confirm cdd51d2a6ef538cf2ebd310ab745f2bb27b14e43
Arles V. Gil Rebaza
- [Pw_forum] Full Relativistic PP for Fe and N...!!!
Arles V. Gil Rebaza
- [Pw_forum] Error with band.x
Arles V. Gil Rebaza
- [Pw_forum] Error with band.x
Arles V. Gil Rebaza
- [Pw_forum] Full Relativistic PP for Fe and N...!!!
Arles V. Gil Rebaza
- [Pw_forum] Error with band.x
Arles V. Gil Rebaza
- [Pw_forum] Error with band.x
Arles V. Gil Rebaza
- [Pw_forum] Error with band.x
Arles V. Gil Rebaza
- [Pw_forum] e-ph methode
SanjeevKGupta
- [Pw_forum] U
Gabriele Sclauzero
- [Pw_forum] Generating k points for the full first brillouin zone
Gabriele Sclauzero
- [Pw_forum] epsilon calculation
Olga Sedelnikova
- [Pw_forum] Stress calculation in SCF
Dimpy Sharma
- [Pw_forum] Error in output in calculating stress
Dimpy Sharma
- [Pw_forum] cholesky decomposition
Dimpy Sharma
- [Pw_forum] Strain calculation through quantum espresso
Dimpy Sharma
- [Pw_forum] Pw_forum Digest, Vol 25, Issue 10
Dimpy Sharma
- [Pw_forum] Volume in a supercell
Dimpy Sharma
- [Pw_forum] failure with NCPP
Luke Shulenburger
- [Pw_forum] failure with NCPP
Luke Shulenburger
- [Pw_forum] Problem In Creating Proper Structure in Xcrysden
Neel Singh
- [Pw_forum] parallel execution of PWscf
Neel Singh
- [Pw_forum] Not getting right Band structure
Neel Singh
- [Pw_forum] Intallation on Itanium Processor
Neel Singh
- [Pw_forum] Not getting right Band structure
Neel Singh
- [Pw_forum] Error in DOS calculation
Neel Singh
- [Pw_forum] Error in DOS calculation
Neel Singh
- [Pw_forum] Stoner parameter estimation
Nicholas E. Singh-Miller
- [Pw_forum] pwcond-problem with linear system
Manoj Srivastava
- [Pw_forum] generating k point weights
Manoj Srivastava
- [Pw_forum] GW
Geoffrey Stenuit
- [Pw_forum] sum over lambda(q)
Ali Tavana
- [Pw_forum] e-ph methode
Ali Tavana
- [Pw_forum] Wavefunction file
Caloma Trumica
- [Pw_forum] force constant output
Mikiyas Tsegaye
- [Pw_forum] graphene phonon dispersion problem
Mikiyas Tsegaye
- [Pw_forum] *.fc file in PW_SCF help.
Mikiyas Tsegaye
- [Pw_forum] nsfd
Vo, Trinh (388C)
- [Pw_forum] nsfd
Vo, Trinh (388C)
- [Pw_forum] nsfd
Vo, Trinh (388C)
- [Pw_forum] (no subject)
Vo, Trinh (388C)
- [Pw_forum] (no subject)
Vo, Trinh (388C)
- [Pw_forum] (no subject)
Vo, Trinh (388C)
- [Pw_forum] opium
Eric J. Walter
- [Pw_forum] failure with NCPP
Eric J. Walter
- [Pw_forum] failure with NCPP
Eric J. Walter
- [Pw_forum] failure with NCPP
Eric J. Walter
- [Pw_forum] Problem in energy conservation in NVE MD using cp.x
pastore at democritos.it
- [Pw_forum] Use of wannier90.x for the calculation of Born Effective Charge
yukihiro_okuno at fujifilm.co.jp
- [Pw_forum] run_example
kada galami
- [Pw_forum] Elastic Constant Calculation Problem
rostam golesorkhtabar
- [Pw_forum] semicore
lan haiping
- [Pw_forum] failure with NCPP
lan haiping
- [Pw_forum] failure with NCPP
lan haiping
- [Pw_forum] failure with NCPP
lan haiping
- [Pw_forum] failure with NCPP
lan haiping
- [Pw_forum] failure with NCPP
lan haiping
- [Pw_forum] Pw_forum Digest, Vol 25, Issue 39
lan haiping
- [Pw_forum] (no subject)
lan haiping
- [Pw_forum] U
ali kazempour
- [Pw_forum] vc-relax
ali kazempour
- [Pw_forum] GW
ali kazempour
- [Pw_forum] tetragonal
ali kazempour
- [Pw_forum] binding energy
ali kazempour
- [Pw_forum] semicore
ali kazempour
- [Pw_forum] semicore
ali kazempour
- [Pw_forum] norm conserving
ali kazempour
- [Pw_forum] norm conserving
ali kazempour
- [Pw_forum] opium
ali kazempour
- [Pw_forum] opiu
ali kazempour
- [Pw_forum] xmgrace
ali kazempour
- [Pw_forum] ZnO
ali kazempour
- [Pw_forum] LDA+U
ali kazempour
- [Pw_forum] LDA+U isolated atom
ali kazempour
- [Pw_forum] GGA+U
ali kazempour
- [Pw_forum] occupation
ali kazempour
- [Pw_forum] u-atom
ali kazempour
- [Pw_forum] plotting chargedensity
vamsi kv
- [Pw_forum] plotting chargedensity
vamsi kv
- [Pw_forum] surface band structure and dos
isaac motochi
- [Pw_forum] surface band structure and dos
isaac motochi
- [Pw_forum] Generating k points for the full first brillouin zone
jtmullen at ncsu.edu
- [Pw_forum] About background charge
oulihui666
- [Pw_forum] Forward of moderated message
pw_users-bounces at pwscf.org
- [Pw_forum] Errors in PS-KS equation
pushpa raghani
- [Pw_forum] Errors in PS-KS equation
pushpa raghani
- [Pw_forum] ncpp for Ag
ambavale sagar
- [Pw_forum] pwcond-problem with linear system
ambavale sagar
- [Pw_forum] Errors in examples of QuantumEspresso
leila salimi
- [Pw_forum] Errors in examples of QuantumEspresso
leila salimi
- [Pw_forum] Error : from cdiaghg : error #363, info =/= 0
dev sharma
- [Pw_forum] Error : from cdiaghg : error #363, info =/= 0
dev sharma
- [Pw_forum] B2cb Space Group
dev sharma
- [Pw_forum] Bismuth Titanate Structure
dev sharma
- [Pw_forum] Bismuth Titanate Structure
dev sharma
- [Pw_forum] Ni LDA relativistic potential
mousumi uk
- [Pw_forum] about U
wangqj1
- [Pw_forum] surface band structure and dos
xirainbow
- [Pw_forum] fixed spin moment calculation does not give a correct lattice constant !?
xwzhang
- [Pw_forum] Compilation using -DEXX
snd2mra at yahoo.com
- [Pw_forum] Stoner parameter estimation
孙阳
- [Pw_forum] Stoner parameter estimation
孙阳
- [Pw_forum] Dear All, question about the wannier90 use
文沈
- [Pw_forum] Dear All, question about the wannier90 use
文沈
- [Pw_forum] Dear All, question about the wannier90 use
文沈
- [Pw_forum] Dear all, anybody knows what is the unit for the spin polarzation and charge density for the plotting file provided by pp.x?
文沈
- [Pw_forum] Dear all, can someone tell me why my force for the relax calculation get to NAN?
文沈
- [Pw_forum] Does anybody have the same problem for the relax calculation about the atom force
文沈
- [Pw_forum] Does anybody have the same problem for the relax calculation about the atom force
文沈
- [Pw_forum] Does anybody have the same problem for the relax calculation about the atom force
文沈
- [Pw_forum] Does anybody have the same problem for the relax calculation about the atom force
文沈
- [Pw_forum] the sum of the born effective charge in phonon calculation
程迎春
- [Pw_forum] relativistic pseudopotential for Zn
程迎春
- [Pw_forum] run_example
程迎春
Last message date:
Fri Jul 31 23:06:15 CEST 2009
Archived on: Fri Dec 4 19:42:18 CET 2009
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