pw_forum

Messages by Date

2011/09/21 [Pw_forum] cluster timing & delay -v.lousy way- Changru Ma
2011/09/21 [Pw_forum] problems with examples Jose Luis Gordillo Ruiz
2011/09/21 [Pw_forum] BoltzTrap interface Payam Norouzzadeh
2011/09/21 [Pw_forum] cluster timing & delay -v.lousy way- Mona M.O. Elfadil
2011/09/21 [Pw_forum] Doubt in spin-orbit coupling results Gabriele Sclauzero
2011/09/21 [Pw_forum] Doubt in spin-orbit coupling results Padmaja Patnaik
2011/09/21 [Pw_forum] Regarding structural optimization kondaiah samudrala
2011/09/21 [Pw_forum] problem in plot bandstructure Mahdi Faqieh nasiri
2011/09/21 [Pw_forum] problems with examples Paolo Giannozzi
2011/09/21 [Pw_forum] .SAVE files Paolo Giannozzi
2011/09/20 [Pw_forum] .SAVE files pari shok
2011/09/20 [Pw_forum] Xe pseudopotentials Chen, Zhifan
2011/09/20 [Pw_forum] problems with examples Jose Luis Gordillo Ruiz
2011/09/20 [Pw_forum] BltzTrap interface Paolo Giannozzi
2011/09/20 [Pw_forum] BltzTrap interface Payam Norouzzadeh
2011/09/20 [Pw_forum] 64 bit GPU-enabled QE Eric Germaneau
2011/09/20 [Pw_forum] pw.x error running on cluster Ren PJ
2011/09/20 [Pw_forum] hgh to UPF Paolo Giannozzi
2011/09/20 [Pw_forum] hgh to UPF [email protected]
2011/09/20 [Pw_forum] about raman? Paolo Giannozzi
2011/09/20 [Pw_forum] Ge pseudopotential Paolo Giannozzi
2011/09/20 [Pw_forum] Doping semiconductor Arles V. Gil Rebaza
2011/09/20 [Pw_forum] Doubt in spin-orbit coupling results Gabriele Sclauzero
2011/09/20 [Pw_forum] Ge pseudopotential damien
2011/09/20 [Pw_forum] local density of states on parallel planes Gabriele Sclauzero
2011/09/20 [Pw_forum] about raman? Eduardo Ariel Menendez Proupin
2011/09/20 [Pw_forum] pw.x error running on cluster Ramesh Kumar
2011/09/20 [Pw_forum] Doping semiconductor bamidele ibrahim
2011/09/19 [Pw_forum] pw.x error running on cluster Ren PJ
2011/09/19 [Pw_forum] 64 bit GPU-enabled QE Giovani Faccin
2011/09/19 [Pw_forum] about raman? lucking-pine
2011/09/19 [Pw_forum] warning: symmetry operation # x not allowed Stefano de Gironcoli
2011/09/18 [Pw_forum] warning: symmetry operation # x not allowed swapnil chandratre
2011/09/18 [Pw_forum] elastic constants bhabya sahoo
2011/09/18 [Pw_forum] from check_atoms : error # : Problem solved ramesh kumar
2011/09/18 [Pw_forum] elastic constants GAO Zhe
2011/09/18 [Pw_forum] elastic constants bhabya sahoo
2011/09/18 [Pw_forum] Regarding Structral optimization konda
2011/09/18 [Pw_forum] Pw_forum Digest, Vol 51, Issue 44 kondaiah samudrala
2011/09/17 [Pw_forum] Pw_forum Digest, Vol 51, Issue 43 maaly
2011/09/17 [Pw_forum] from check_atoms : error # mohnish pandey
2011/09/17 [Pw_forum] from check_atoms : error # GAO Zhe
2011/09/17 [Pw_forum] problem in plot bandstructure Mahdi Faqieh nasiri
2011/09/17 [Pw_forum] from check_atoms : error # ramesh kumar
2011/09/16 [Pw_forum] SCF errror with the converted pseudopotential GAO Zhe
2011/09/16 [Pw_forum] regarding structural optimization GAO Zhe
2011/09/15 [Pw_forum] modifying sumpdos.f90 Guido Fratesi
2011/09/14 [Pw_forum] Error: fft order too large Paolo Giannozzi
2011/09/14 [Pw_forum] Error: fft order too large WF
2011/09/14 [Pw_forum] A psudopotential for Manganese (LDA NC) Ren PJ
2011/09/14 [Pw_forum] A psudopotential for Manganese (LDA NC) [email protected]
2011/09/14 [Pw_forum] modifying sumpdos.f90 Stefano Baroni
2011/09/14 [Pw_forum] modifying sumpdos.f90 Duy Le
2011/09/14 [Pw_forum] Convergence problem with Ni/Ni3Al system [email protected]
2011/09/14 [Pw_forum] SCF errror with the converted pseudopotential lucking-pine
2011/09/14 [Pw_forum] modifying sumpdos.f90 maaly
2011/09/14 [Pw_forum] regarding structural optimization konda
2011/09/14 [Pw_forum] regarding structural optimization kondaiah samudrala
2011/09/13 [Pw_forum] Cu PP for LDA+U Vo, Trinh (388C)
2011/09/13 [Pw_forum] Cu PP for LDA+U Matteo Cococcioni
2011/09/13 [Pw_forum] Convergence problem with Ni/Ni3Al system [email protected]
2011/09/13 [Pw_forum] SCF errror with the converted pseudopotential Paolo Giannozzi
2011/09/13 [Pw_forum] Cu PP for LDA+U Vo, Trinh (388C)
2011/09/13 [Pw_forum] phonon dispersion from IFC Claudio Perottoni
2011/09/13 [Pw_forum] phonon dispersion from IFC Stefano Baroni
2011/09/13 [Pw_forum] phonon dispersion from IFC Claudio Perottoni
2011/09/13 [Pw_forum] SCF errror with the converted pseudopotential lucking-pine
2011/09/13 [Pw_forum] hybrid functionals and vc-relax calculations Giuseppe Mattioli
2011/09/13 [Pw_forum] LDA norm-conserving pseudopotential for Fe Giuseppe Mattioli
2011/09/13 [Pw_forum] LDA norm-conserving pseudopotential for Fe Ren PJ
2011/09/13 [Pw_forum] LDA norm-conserving pseudopotential for Fe [email protected]
2011/09/12 [Pw_forum] charge density calculation with plotrho.x Lorenzo Paulatto
2011/09/12 [Pw_forum] charge density calculation with plotrho.x Tram Bui
2011/09/12 [Pw_forum] PHONON ON GRID Lorenzo Paulatto
2011/09/12 [Pw_forum] Parameters for a model Hamiltonian Izaak Williamson
2011/09/12 [Pw_forum] PHONON ON GRID mayank gupta
2011/09/11 [Pw_forum] Doubt in spin-orbit coupling results Padmaja Patnaik
2011/09/11 [Pw_forum] relaxation of the 60 C atom supercell mohnish pandey
2011/09/11 [Pw_forum] (no subject) Izaak Williamson
2011/09/11 [Pw_forum] relaxation of the 60 C atom supercell Elie Moujaes
2011/09/11 [Pw_forum] ODP: Re: Ph.x problem. No results. Wrong irreducible representations number. "Kacper Drużbicki"
2011/09/11 [Pw_forum] ODP: Sulfur, Nitrogen, Chlorine PBE Norm-Conserving PP "Kacper Drużbicki"
2011/09/11 [Pw_forum] Ph.x problem. No results. Wrong irreducible representations number. Paolo Giannozzi
2011/09/11 [Pw_forum] Sulfur, Nitrogen, Chlorine PBE Norm-Conserving PP "Kacper Drużbicki"
2011/09/11 [Pw_forum] ODP: Re: Ph.x problem. No results. Wrong irreducible representations number. "Kacper Drużbicki"
2011/09/11 [Pw_forum] Ph.x problem. No results. Wrong irreducible representations number. Paolo Giannozzi
2011/09/11 [Pw_forum] Installation failure Paolo Giannozzi
2011/09/11 [Pw_forum] about PWscf PP generation Emine Kucukbenli
2011/09/11 [Pw_forum] about PWscf PP generation Robin H
2011/09/10 [Pw_forum] How to modify code and recompile? Giovani Faccin
2011/09/10 [Pw_forum] How to modify code and recompile? [email protected]
2011/09/10 [Pw_forum] Installation failure Onaiwu Kingsley Nosa
2011/09/10 [Pw_forum] results of vc-relax Elie Moujaes
2011/09/10 [Pw_forum] results of vc-relax Paolo Giannozzi
2011/09/10 [Pw_forum] Phonones Eric Germaneau
2011/09/10 [Pw_forum] Phonones Eric Germaneau
2011/09/10 [Pw_forum] Ph.x problem. No results. Wrong irreducible representations number. "Kacper Drużbicki"
2011/09/10 [Pw_forum] results of vc-relax Elie Moujaes
2011/09/09 [Pw_forum] Interatomic force constant Onaiwu Kingsley Nosa
2011/09/09 [Pw_forum] local density of states on parallel planes pari shok
2011/09/09 [Pw_forum] problems with vc-relax Elie Moujaes
2011/09/09 [Pw_forum] QHA calculated error ! lucking-pine
2011/09/09 [Pw_forum] QHA calculated error ! Paolo Giannozzi
2011/09/09 [Pw_forum] QHA calculated error ! lucking-pine
2011/09/09 [Pw_forum] QHA calculated error ! Paolo Giannozzi
2011/09/09 [Pw_forum] Interatomic force constant Stefano Baroni
2011/09/09 [Pw_forum] QHA calculated error ! lucking-pine
2011/09/08 [Pw_forum] problems with vc-relax Xijun Wang
2011/09/08 [Pw_forum] Pseudopotential for Terbium in upf file Chengyang Li
2011/09/08 [Pw_forum] problems with vc-relax WF
2011/09/08 [Pw_forum] Pseudopotential for Terbium in upf file Emine Kucukbenli
2011/09/08 [Pw_forum] Pseudopotential for Terbium in upf file Chengyang Li
2011/09/08 [Pw_forum] problems with vc-relax Elie Moujaes
2011/09/08 [Pw_forum] problems with vc-relax Xijun Wang
2011/09/08 [Pw_forum] problems with vc-relax Elie Moujaes
2011/09/08 [Pw_forum] All electron calculation Jan Felix Binder
2011/09/08 [Pw_forum] (no subject) mike at.
2011/09/08 [Pw_forum] Is it necessary to clear outdir / wfcdir before calculation? WF
2011/09/08 [Pw_forum] Is it necessary to clear outdir / wfcdir Gabriele Sclauzero
2011/09/08 [Pw_forum] Is it necessary to clear outdir / wfcdir before calculation? Paolo Giannozzi
2011/09/08 [Pw_forum] Is it necessary to clear outdir / wfcdir WF
2011/09/07 [Pw_forum] At line 174 of file paw_gipaw.f90 (unit = 14, file = '') Gregor Mali
2011/09/07 [Pw_forum] Fwd: QHA calculated error ! lucking-pine
2011/09/07 [Pw_forum] Is it necessary to clear outdir / wfcdir before calculation? GAO Zhe
2011/09/07 [Pw_forum] Is it necessary to clear outdir / wfcdir before calculation? WF
2011/09/07 [Pw_forum] (no subject) Padmaja Patnaik
2011/09/07 [Pw_forum] Pseudopotential for Terbium in upf file GAO Zhe
2011/09/07 [Pw_forum] All electron calculation GAO Zhe
2011/09/07 [Pw_forum] problems with vc-relax Elie Moujaes
2011/09/07 [Pw_forum] problems with vc-relax Elie Moujaes
2011/09/07 [Pw_forum] Pseudopotential for Terbium in upf file Chengyang Li
2011/09/07 [Pw_forum] problems with vc-relax Elie Moujaes
2011/09/07 [Pw_forum] problems with vc-relax Elie Moujaes
2011/09/07 [Pw_forum] problems with vc-relax Elie Moujaes
2011/09/07 [Pw_forum] problems with vc-relax Xijun Wang
2011/09/07 [Pw_forum] problems with vc-relax Xijun Wang
2011/09/07 [Pw_forum] problems in vc relax Elie Moujaes
2011/09/07 [Pw_forum] problems with vc-relax Elie Moujaes
2011/09/07 [Pw_forum] problems with vc-relax Elie Moujaes
2011/09/07 [Pw_forum] problems with vc-relax Elie Moujaes
2011/09/07 [Pw_forum] problems with vc-relax Elie Moujaes
2011/09/07 [Pw_forum] (no subject) Paolo Giannozzi
2011/09/07 [Pw_forum] All electron calculation Gabriele Sclauzero
2011/09/07 [Pw_forum] All electron calculation Tram Bui
2011/09/07 [Pw_forum] ATOMIC_POSITIONS after 'final coordinates' Xijun Wang
2011/09/07 [Pw_forum] (no subject) Xijun Wang
2011/09/07 [Pw_forum] ATOMIC_POSITIONS after 'final coordinates' Paolo Giannozzi
2011/09/07 [Pw_forum] ATOMIC_POSITIONS after 'final coordinates' Xijun Wang
2011/09/07 [Pw_forum] (no subject) Paolo Giannozzi
2011/09/07 [Pw_forum] (no subject) Phillip Nyawere
2011/09/07 [Pw_forum] QHA calculated error ! lucking-pine
2011/09/07 [Pw_forum] (no subject) Paolo Giannozzi
2011/09/07 [Pw_forum] (no subject) GAO Zhe
2011/09/07 [Pw_forum] (no subject) GAO Zhe
2011/09/07 [Pw_forum] (no subject) Paolo Giannozzi
2011/09/07 [Pw_forum] (no subject) Changru Ma
2011/09/07 [Pw_forum] [SUSPECTED SPAM-Ironport] (no subject) Giuseppe Mattioli
2011/09/07 [Pw_forum] (no subject) Winfred Mulwa
2011/09/07 [Pw_forum] At line 174 of file paw_gipaw.f90 (unit = 14, file = '') Emine Kucukbenli
2011/09/07 [Pw_forum] (no subject) Winfred Mulwa
2011/09/07 [Pw_forum] At line 174 of file paw_gipaw.f90 (unit = 14, file = '') Gregor Mali
2011/09/07 [Pw_forum] How to speed up gipaw? Davide Ceresoli
2011/09/07 [Pw_forum] At line 174 of file paw_gipaw.f90 (unit = 14, file = '') Davide Ceresoli
2011/09/07 [Pw_forum] about PWscf PP generation Paolo Giannozzi
2011/09/07 [Pw_forum] ATOMIC_POSITIONS after 'final coordinates' Paolo Giannozzi
2011/09/06 [Pw_forum] about PWscf PP generation Robin H
2011/09/06 [Pw_forum] How to speed up gipaw? Ren PJ
2011/09/06 [Pw_forum] ATOMIC_POSITIONS after 'final coordinates' Xijun Wang
2011/09/06 [Pw_forum] At line 174 of file paw_gipaw.f90 (unit = 14, file = '') Eugenio Furtado
2011/09/06 [Pw_forum] At line 174 of file paw_gipaw.f90 (unit = 14, file = '') Emine Kucukbenli
2011/09/06 [Pw_forum] At line 174 of file paw_gipaw.f90 (unit = 14, file = '') Paolo Giannozzi
2011/09/06 [Pw_forum] At line 174 of file paw_gipaw.f90 (unit = 14, file = '') Daniel Lima
2011/09/06 [Pw_forum] wfc files: heavy I/O, handling for restarts S. K. S.
2011/09/06 [Pw_forum] wfc files: heavy I/O, handling for restarts Paolo Giannozzi
2011/09/05 [Pw_forum] heat capacity Nafise Rezaei
2011/09/05 [Pw_forum] wfc files: heavy I/O, handling for restarts S. K. S.
2011/09/05 [Pw_forum] To Dr. Michele Lazzeri about write electron-phonon coupling matrix Ying Sun
2011/09/05 [Pw_forum] wfc files: heavy I/O, handling for restarts Paolo Giannozzi
2011/09/05 [Pw_forum] xspectra calculation error sreekar guddeti
2011/09/05 [Pw_forum] Quarry about special k-point partha sarathi ghosh
2011/09/05 [Pw_forum] XSpectra calculation error Matteo Calandra
2011/09/05 [Pw_forum] Convergence problem with spin-polarized BLYP lfhuang
2011/09/05 [Pw_forum] Segmentation fault with pp.x Changru Ma
2011/09/04 [Pw_forum] Segmentation fault with pp.x vkarthik
2011/09/04 [Pw_forum] xspectra calculation error bamidele ibrahim
2011/09/04 [Pw_forum] wfc files: heavy I/O, handling for restarts Michael Sternberg
2011/09/04 [Pw_forum] about PWscf PP generation GAO Zhe
2011/09/04 [Pw_forum] Pw_forum Digest, Vol 51, Issue 7 Sanjay D. Gupta
2011/09/04 [Pw_forum] problems with the new Martins-Troullier O pseudo Paolo Giannozzi
2011/09/04 [Pw_forum] about PWscf PP generation Robin H
2011/09/04 [Pw_forum] problems with the new Martins-Troullier O pseudo [email protected]
2011/09/04 [Pw_forum] Problem while Reading celldm of triclinic structure Paolo Giannozzi
2011/09/04 [Pw_forum] Problem while Reading celldm of triclinic structure Sanjay D. Gupta
2011/09/03 [Pw_forum] cannot allocate memory error Stefano Baroni
2011/09/03 [Pw_forum] cannot allocate memory error Elie Moujaes
2011/09/03 [Pw_forum] cannot allocate memory error Duy Le
2011/09/03 [Pw_forum] cannot allocate memory error Elie Moujaes
2011/09/03 [Pw_forum] Method of computing static dielectric constant of materials Rajan Pandey
2011/09/03 [Pw_forum] Method of computing static dielectric constant of materials Rajan Pandey
2011/09/03 [Pw_forum] Wannier90, question about units in seedname_hr.dat Julen Ibanez Azpiroz