July 2009 Archives by date

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Starting: Wed Jul 1 00:19:56 CEST 2009
Ending: Fri Jul 31 23:06:15 CEST 2009
Messages: 290

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

Last message date: Fri Jul 31 23:06:15 CEST 2009
Archived on: Wed Feb 28 11:04:03 CET 2018

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