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• 2011/10/10 [Pw_forum] Is it possible to calculate free energy of graphite at specified temperature? Éric Germaneau
• 2011/10/10 [Pw_forum] some suggestions regarding the DFT-D module P.Canepa
• 2011/10/10 [Pw_forum] some suggestions regarding the DFT-D module P.Canepa
• 2011/10/10 [Pw_forum] some suggestions regarding the DFT-D module Paolo Giannozzi
• 2011/10/10 [Pw_forum] mariam malmir wants to chat mariam malmir
• 2011/10/10 [Pw_forum] problem mariam malmir
• 2011/10/10 [Pw_forum] some suggestions regarding the DFT-D module pieremanuele canepa
• 2011/10/10 [Pw_forum] problems with pp.x for parallel processing Paolo Giannozzi
• 2011/10/10 [Pw_forum] Compile error when using Cygwin and gfortran 4.7 Paolo Giannozzi
• 2011/10/10 [Pw_forum] Is it possible to calculate free energy of graphite at specified temperature? GAO Zhe
• 2011/10/09 [Pw_forum] input and output of average.x Gabriele Sclauzero
• 2011/10/09 [Pw_forum] problem in calculation by 4.2.1 version Paolo Giannozzi
• 2011/10/09 [Pw_forum] Is it possible to calculate free energy of graphite at specified temperature? Paolo Giannozzi
• 2011/10/09 [Pw_forum] Is it possible to calculate free energy of graphite at specified temperature? GAO Zhe
• 2011/10/09 [Pw_forum] Is it possible to calculate free energy of graphite at specified temperature? GAO Zhe
• 2011/10/09 [Pw_forum] (no subject) PLN Murty
• 2011/10/09 [Pw_forum] How to obtain the viberating modes from the file *.dyn? 陶鹏
• 2011/10/09 [Pw_forum] species list in "set_hubbard_l.f90" and "tabd.f90" Vo, Trinh (388C)
• 2011/10/09 [Pw_forum] problem in calculation by 4.2.1 version yaldaa kh
• 2011/10/09 [Pw_forum] Is it possible to calculate free energy of graphite at specified temperature? bhabya sahoo
• 2011/10/09 [Pw_forum] Is it possible to calculate free energy of graphite at specified temperature? GAO Zhe
• 2011/10/08 [Pw_forum] problems with pp.x for parallel processing Natalia Pavlenko
• 2011/10/08 [Pw_forum] Pw_forum Digest, Vol 52, Issue 17 mariam malmir
• 2011/10/08 [Pw_forum] input and output of average.x mashiat alaaii
• 2011/10/08 [Pw_forum] Compile error when using Cygwin and gfortran 4.7 Sean Muir
• 2011/10/08 [Pw_forum] problem with 4.2.1 version yaldaa kh
• 2011/10/08 [Pw_forum] problems with pp.x for parallel processing Paolo Giannozzi
• 2011/10/08 [Pw_forum] problem Arles V. Gil Rebaza
• 2011/10/08 [Pw_forum] RE : problem BARRETEAU Cyrille
• 2011/10/08 [Pw_forum] problem mariam malmir
• 2011/10/08 [Pw_forum] problems with pp.x for parallel processing Natalia Pavlenko
• 2011/10/07 [Pw_forum] RE : how to calculate magnetic moment on each atoms patriot pershing
• 2011/10/07 [Pw_forum] how to calculate magnetic moment on each atoms patriot pershing
• 2011/10/07 [Pw_forum] problems with pp.x for parallel processing Paolo Giannozzi
• 2011/10/07 [Pw_forum] problems with pp.x for parallel processing Natalia Pavlenko
• 2011/10/07 [Pw_forum] xspectra - spin polarization and core-hole delocalization [email protected]
• 2011/10/07 [Pw_forum] problems with pp.x for parallel processing GAO Zhe
• 2011/10/07 [Pw_forum] working neb example Changru Ma
• 2011/10/07 [Pw_forum] problems with pp.x for parallel processing Natalia Pavlenko
• 2011/10/07 [Pw_forum] working neb example Hans Horn
• 2011/10/07 [Pw_forum] problems with pp.x for parallel processing Paolo Giannozzi
• 2011/10/07 [Pw_forum] input and output of average.x Paolo Giannozzi
• 2011/10/07 [Pw_forum] input and output of average.x mashiat alaaii
• 2011/10/07 [Pw_forum] problems with pp.x for parallel processing Natalia Pavlenko
• 2011/10/07 [Pw_forum] Issue with phonon calculation on supercell. Éric Germaneau
• 2011/10/07 [Pw_forum] Issue with phonon calculation on supercell. Éric Germaneau
• 2011/10/07 [Pw_forum] Problem with Raman and Infrared Active Modes Andrea Dal Corso
• 2011/10/07 [Pw_forum] Problem with Raman and Infrared Active Modes Stefano Baroni
• 2011/10/07 [Pw_forum] Problem with Raman and Infrared Active Modes HASAN SAHIN
• 2011/10/07 [Pw_forum] Problem with Raman and Infrared Active Modes Martin Andersson
• 2011/10/07 [Pw_forum] Problem with Raman and Infrared Active Modes Paolo Giannozzi
• 2011/10/07 [Pw_forum] Problem with Raman and Infrared Active Modes HASAN SAHIN
• 2011/10/07 [Pw_forum] problem in xspectra calculations Paolo Giannozzi
• 2011/10/07 [Pw_forum] Problem with Raman and Infrared Active Modes Paolo Giannozzi
• 2011/10/07 [Pw_forum] Problem with Raman and Infrared Active Modes HASAN SAHIN
• 2011/10/06 [Pw_forum] Issue with phonon calculation on supercell. Sanjeev Gupta
• 2011/10/06 [Pw_forum] problems with Fluor pseudopotentials Paolo Giannozzi
• 2011/10/06 [Pw_forum] problem in vc-relax Paolo Giannozzi
• 2011/10/06 [Pw_forum] problems with Fluor pseudopotentials [email protected]
• 2011/10/06 [Pw_forum] problem in vc-relax Lars Matthes
• 2011/10/06 [Pw_forum] nspin=1 in NEB calculation Guido Fratesi
• 2011/10/06 [Pw_forum] nspin=1 in NEB calculation He Jinghui
• 2011/10/06 [Pw_forum] Pw_forum Digest, Vol 52, Issue 3 ambesh dixit
• 2011/10/06 [Pw_forum] A Question about ILDOS on different planes Guido Fratesi
• 2011/10/06 [Pw_forum] A Question about ILDOS on different planes Gabriele Sclauzero
• 2011/10/05 [Pw_forum] molecule raman tensor calculation meet error Paolo Giannozzi
• 2011/10/05 [Pw_forum] problem in vc-relax Paolo Giannozzi
• 2011/10/05 [Pw_forum] problem in vc-relax Alexander G. Kvashnin
• 2011/10/05 [Pw_forum] A Question about ILDOS on different planes pari shok
• 2011/10/05 [Pw_forum] molecule raman tensor calculation meet error jinxi
• 2011/10/05 [Pw_forum] molecule raman tensor calculation meet error jinxi
• 2011/10/05 [Pw_forum] Open postdoctoral position in computational molecular modelling for geochemical applications Marc Blanchard
• 2011/10/05 [Pw_forum] Issue with phonon calculation on supercell. Éric Germaneau
• 2011/10/05 [Pw_forum] how to calculate magnetic moment on each atoms Arles V. Gil Rebaza
• 2011/10/05 [Pw_forum] nspin=1 in NEB calculation Guido Fratesi
• 2011/10/05 [Pw_forum] server maintenance Layla Martin-Samos
• 2011/10/05 [Pw_forum] RE : how to calculate magnetic moment on each atoms BARRETEAU Cyrille
• 2011/10/05 [Pw_forum] how to calculate magnetic moment on each atoms patriot pershing
• 2011/10/04 [Pw_forum] problem in vc-relax Paolo Giannozzi
• 2011/10/04 [Pw_forum] Can we obtain anharmonic vibration energy from s3.x? GAO Zhe
• 2011/10/04 [Pw_forum] nspin=1 in NEB calculation He Jinghui
• 2011/10/04 [Pw_forum] problem in vc-relax Alexander G. Kvashnin
• 2011/10/04 [Pw_forum] problem in vc-relax Paolo Giannozzi
• 2011/10/04 [Pw_forum] problem in vc-relax Alexander G. Kvashnin
• 2011/10/04 [Pw_forum] problem in vc-relax Paolo Giannozzi
• 2011/10/04 [Pw_forum] problem in vc-relax Alexander G. Kvashnin
• 2011/10/04 [Pw_forum] problem in vc-relax vkarthik
• 2011/10/04 [Pw_forum] projwfc.x error Zhiting Tian
• 2011/10/04 [Pw_forum] problem in vc-relax Mike Mehl
• 2011/10/04 [Pw_forum] problem with ibrav = -12 Paolo Giannozzi
• 2011/10/04 [Pw_forum] problem in vc-relax Arles V. Gil Rebaza
• 2011/10/04 [Pw_forum] problem in vc-relax Stefano de Gironcoli
• 2011/10/04 [Pw_forum] problem with ibrav = -12 jose manuel menendez montes
• 2011/10/04 [Pw_forum] problem in vc-relax Ashish Kumar
• 2011/10/04 [Pw_forum] projwfc.x error Paolo Giannozzi
• 2011/10/03 [Pw_forum] images and pools Paolo Giannozzi
• 2011/10/03 [Pw_forum] A Question about ILDOS on different planes Gabriele Sclauzero
• 2011/10/02 [Pw_forum] A Question about ILDOS on different planes pari shok
• 2011/10/02 [Pw_forum] CuO bulk Error during compilation Michael Sullivan
• 2011/10/02 [Pw_forum] CuO bulk Error during compilation GAO Zhe
• 2011/10/02 [Pw_forum] CuO bulk Error during compilation ambesh dixit
• 2011/10/01 [Pw_forum] images and pools Charlie Eppes
• 2011/10/01 [Pw_forum] GADGET and PWSCF Lorenzo Paulatto
• 2011/09/30 [Pw_forum] GADGET and PWSCF Alex Shearer
• 2011/09/30 [Pw_forum] ESM and spin polarized ionic relaxations Alejandro Suarez
• 2011/09/30 [Pw_forum] installing input file builder: gdis-0.99 Éric Germaneau
• 2011/09/30 [Pw_forum] installing input file builder: gdis-0.99 Éric Germaneau
• 2011/09/30 [Pw_forum] Spin polarization Éric Germaneau
• 2011/09/30 [Pw_forum] installing input file builder: gdis-0.99 Éric Germaneau
• 2011/09/30 [Pw_forum] installing input file builder: gdis-0.99 Éric Germaneau
• 2011/09/29 [Pw_forum] Graphene Sheet with Antidots Paolo Giannozzi
• 2011/09/29 [Pw_forum] Graphene Sheet with Antidots swapnil chandratre
• 2011/09/29 [Pw_forum] Graphene Sheet with Antidots swapnil chandratre
• 2011/09/29 [Pw_forum] Graphene Sheet with Antidots Paolo Giannozzi
• 2011/09/29 [Pw_forum] Graphene Sheet with Antidots swapnil chandratre
• 2011/09/29 [Pw_forum] Graphene Sheet with Antidots Paolo Giannozzi
• 2011/09/29 [Pw_forum] Graphene Sheet with Antidots swapnil chandratre
• 2011/09/29 [Pw_forum] installing input file builder: gdis-0.99 He Jinghui
• 2011/09/29 [Pw_forum] installing input file builder: gdis-0.99 GAO Zhe
• 2011/09/29 [Pw_forum] installing input file builder: gdis-0.99 He Jinghui
• 2011/09/29 [Pw_forum] Graphene Sheet with Antidots Masoud
• 2011/09/29 [Pw_forum] Graphene Sheet with Antidots swapnil chandratre
• 2011/09/29 [Pw_forum] mpif90 compiler that uses ifort Ahmad Yassin
• 2011/09/28 [Pw_forum] Error running dos.x Zhiting Tian
• 2011/09/28 [Pw_forum] projwfc.x error Zhiting Tian
• 2011/09/28 [Pw_forum] Error running dos.x GAO Zhe
• 2011/09/28 [Pw_forum] Too many bands are not converged from nscf calculation Zhiting Tian
• 2011/09/28 [Pw_forum] Error running dos.x Zhiting Tian
• 2011/09/28 [Pw_forum] Charge density: what min and max values represent? Tram Bui
• 2011/09/28 [Pw_forum] problem in xspectra calculations Niharika Joshi
• 2011/09/28 [Pw_forum] PostProcessing the .save file on another machine Paolo Giannozzi
• 2011/09/27 [Pw_forum] problem about ibrav no. GAO Zhe
• 2011/09/27 [Pw_forum] problem about ibrav no. amar shugani
• 2011/09/27 [Pw_forum] Magnetic Anisotropy using PAW Izaak Williamson
• 2011/09/27 [Pw_forum] PostProcessing the .save file on another machine vkarthik
• 2011/09/27 [Pw_forum] Finding effective mass Eduardo Ariel Menendez Proupin
• 2011/09/27 [Pw_forum] Finding effective mass Paolo Giannozzi
• 2011/09/26 [Pw_forum] Finding effective mass Padmaja Patnaik
• 2011/09/26 [Pw_forum] mpif90 compiler that uses ifort GAO Zhe
• 2011/09/26 [Pw_forum] mpif90 compiler that uses ifort Jeff Mullen
• 2011/09/26 [Pw_forum] Problem of the energy of orbital in ld1.x with WF
• 2011/09/26 [Pw_forum] mpif90 compiler that uses ifort Ahmad Yassin
• 2011/09/26 [Pw_forum] Too many bands are not converged from nscf calculation Yun song,Kang
• 2011/09/26 [Pw_forum] Too many bands are not converged from nscf calculation Giuseppe Mattioli
• 2011/09/25 [Pw_forum] Problem of the energy of orbital in ld1.x with Paolo Giannozzi
• 2011/09/25 [Pw_forum] band structure calculation mike at.
• 2011/09/25 [Pw_forum] Problem of the energy of orbital in ld1.x with WF
• 2011/09/25 [Pw_forum] Too many bands are not converged from nscf calculation Zhiting Tian
• 2011/09/25 [Pw_forum] Too many bands are not converged from nscf calculation [email protected]
• 2011/09/25 [Pw_forum] DOS calculation for hexagonal Ge2Sb2Te5 (GST) Paolo Giannozzi
• 2011/09/25 [Pw_forum] DOS calculation for hexagonal Ge2Sb2Te5 (GST) henry odhiambo
• 2011/09/25 [Pw_forum] Problem of the energy of orbital in ld1.x with PDOS Paolo Giannozzi
• 2011/09/25 [Pw_forum] error in example01 Paolo Giannozzi
• 2011/09/25 [Pw_forum] Too many bands are not converged from nscf calculation Zhiting Tian
• 2011/09/25 [Pw_forum] error in example01 Mahdi Faqieh nasiri
• 2011/09/24 [Pw_forum] Problem of the energy of orbital in ld1.x with PDOS WF
• 2011/09/24 [Pw_forum] band structure calculation Tram Bui
• 2011/09/24 [Pw_forum] a request Stefano Baroni
• 2011/09/24 [Pw_forum] charge density map Stefano Baroni
• 2011/09/24 [Pw_forum] Problem of the energy of orbital in ld1.x with PDOS GAO Zhe
• 2011/09/24 [Pw_forum] Problem of the energy of orbital in ld1.x with PDOS WF
• 2011/09/23 [Pw_forum] a request Mehrnoosh Hazrati
• 2011/09/23 [Pw_forum] LDOS on parallel planes pari shok
• 2011/09/23 [Pw_forum] Xe pseudopotentials lucking-pine
• 2011/09/23 [Pw_forum] LDA norm-conserving pseudopotential for Fe [email protected]
• 2011/09/22 [Pw_forum] Does VCA method give positive formation energy? GAO Zhe
• 2011/09/22 [Pw_forum] band structure calculation mike at.
• 2011/09/22 [Pw_forum] band structure calculation Tram Bui
• 2011/09/22 [Pw_forum] semi conducting / metallic swapnil chandratre
• 2011/09/22 [Pw_forum] charge density map Tram Bui
• 2011/09/22 [Pw_forum] from cp_read_cell : error # 2 Paolo Giannozzi
• 2011/09/22 [Pw_forum] Symmetry problem in phonon mayank gupta
• 2011/09/22 [Pw_forum] Other example with cpx problem on qe-43 Luis Antonio Leon Martinez
• 2011/09/22 [Pw_forum] stable phase Mike Mehl
• 2011/09/22 [Pw_forum] from cp_read_cell : error # 2 Luis Antonio Leon Martinez
• 2011/09/22 [Pw_forum] LDA norm-conserving pseudopotential for Fe Paolo Giannozzi
• 2011/09/22 [Pw_forum] stable phase bhabya sahoo
• 2011/09/22 [Pw_forum] charge density plot in xcrysden Tone Kokalj
• 2011/09/22 [Pw_forum] NEB procedure Ettore Baldini-Neto
• 2011/09/22 [Pw_forum] from cp_read_cell : error # 2 Paolo Giannozzi
• 2011/09/22 [Pw_forum] NEB procedure Tone Kokalj
• 2011/09/22 [Pw_forum] from cp_read_cell : error # 2 Luis Antonio Leon Martinez
• 2011/09/22 [Pw_forum] LDA norm-conserving pseudopotential for Fe [email protected]
• 2011/09/22 [Pw_forum] NEB procedure Ettore Baldini-Neto
• 2011/09/22 [Pw_forum] NEB procedure Layla Martin-Samos
• 2011/09/22 [Pw_forum] NEB procedure Ettore Baldini-Neto
• 2011/09/22 [Pw_forum] epsilon.x and scissor shift renormalization of momentum operator Eduardo Ariel Menendez Proupin
• 2011/09/22 [Pw_forum] LDA norm-conserving pseudopotential for Fe: to Pengju Ren Paolo Giannozzi
• 2011/09/22 [Pw_forum] LDA norm-conserving pseudopotential for Fe: to Pengju Ren [email protected]
• 2011/09/22 [Pw_forum] cluster timing & delay -v.lousy way- GAO Zhe
• 2011/09/21 [Pw_forum] FFT on a small mesh Stefano Baroni
• 2011/09/21 [Pw_forum] charge density plot in xcrysden Stefano Baroni
• 2011/09/21 [Pw_forum] cluster timing & delay -v.lousy way- Mona M.O. Elfadil
• 2011/09/21 [Pw_forum] FFT on a small mesh Paolo Giannozzi
• 2011/09/21 [Pw_forum] FFT on a small mesh dario rocca
• 2011/09/21 [Pw_forum] Questions about pseudopotential generation. Emine Kucukbenli
• 2011/09/21 [Pw_forum] Questions about pseudopotential generation. Ary Junior
• 2011/09/21 [Pw_forum] Questions about pseudopotential generation. Daniel Lima
• 2011/09/21 [Pw_forum] charge density plot in xcrysden Tram Bui
• 2011/09/21 [Pw_forum] problems with examples Paolo Giannozzi

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