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• 2011/09/02 [Pw_forum] Problem with Bi2Se3 SCF converge mohnish pandey
• 2011/09/02 [Pw_forum] total force and number of k-points Elie Moujaes
• 2011/09/02 [Pw_forum] Problem with Bi2Se3 SCF converge WF
• 2011/09/02 [Pw_forum] Wannier90, question about units in seedname_hr.dat Paolo Giannozzi
• 2011/09/02 [Pw_forum] total force and number of k-points Paolo Giannozzi
• 2011/09/02 [Pw_forum] total force and number of k-points Elie Moujaes
• 2011/09/01 [Pw_forum] How to realize the parallel calculation? Emine Kucukbenli
• 2011/09/01 [Pw_forum] Problem with Bi2Se3 SCF converge mohnish pandey
• 2011/09/01 [Pw_forum] How to realize the parallel calculation? xirainbow
• 2011/09/01 [Pw_forum] How to realize the parallel calculation? 陶鹏
• 2011/09/01 [Pw_forum] Lattice constants with vdW-DF/vdW-DF2 Emine Kucukbenli
• 2011/09/01 [Pw_forum] Lattice constants with vdW-DF/vdW-DF2 Emine Kucukbenli
• 2011/09/01 [Pw_forum] Lattice constants with vdW-DF/vdW-DF2 Duy Le
• 2011/09/01 [Pw_forum] Lattice constants with vdW-DF/vdW-DF2 Ari P Seitsonen
• 2011/09/01 [Pw_forum] Wannier90, question about units in seedname_hr.dat Julen Ibanez Azpiroz
• 2011/09/01 [Pw_forum] Phonons of molecular crystal Guntram Schmidt
• 2011/09/01 [Pw_forum] K POINTS Paolo Giannozzi
• 2011/09/01 [Pw_forum] Phonons of molecular crystal Stefano de Gironcoli
• 2011/09/01 [Pw_forum] Phonons of molecular crystal Guntram Schmidt
• 2011/08/31 [Pw_forum] K POINTS mayank gupta
• 2011/08/31 [Pw_forum] Installation ERROR Lorenzo Paulatto
• 2011/08/31 [Pw_forum] Installation ERROR Raghuvir R S Pissurlenkar
• 2011/08/31 [Pw_forum] Can not find minimum free energy by QHA GAO Zhe
• 2011/08/31 [Pw_forum] problems with STM simulation Paolo Giannozzi
• 2011/08/31 [Pw_forum] radius of integration for local charge and magnetization sreekar guddeti
• 2011/08/30 [Pw_forum] problems with STM simulation Cao TF
• 2011/08/30 [Pw_forum] Problem with Bi2Se3 SCF converge WF
• 2011/08/30 [Pw_forum] problem in lderiv curves for Sr Lorenzo Paulatto
• 2011/08/30 [Pw_forum] Installation ERROR Paolo Giannozzi
• 2011/08/30 [Pw_forum] Installation ERROR [email protected]
• 2011/08/30 [Pw_forum] problem in lderiv curves for Sr karan deep
• 2011/08/30 [Pw_forum] Does SOC conflict with HSE06? Paolo Giannozzi
• 2011/08/30 [Pw_forum] Postdoctoral position at the University of South Florida Sergey Lisenkov
• 2011/08/30 [Pw_forum] Serial algorithm Ramesh Kumar
• 2011/08/30 [Pw_forum] Problem with Ni/Ni3Al system [email protected]
• 2011/08/30 [Pw_forum] Problem with band structure computation Paolo Giannozzi
• 2011/08/30 [Pw_forum] discrepancies in tests Paolo Giannozzi
• 2011/08/30 [Pw_forum] Serial algorithm Paolo Giannozzi
• 2011/08/30 [Pw_forum] Problem with Ni/Ni3Al system Gabriele Sclauzero
• 2011/08/30 [Pw_forum] Problem with Ni/Ni3Al system [email protected]
• 2011/08/30 [Pw_forum] Serial algorithm Ramesh Kumar
• 2011/08/30 [Pw_forum] Problem with Ni/Ni3Al system [email protected]
• 2011/08/30 [Pw_forum] Problem with Ni/Ni3Al system Gabriele Sclauzero
• 2011/08/29 [Pw_forum] Problem with band structure computation jchuang
• 2011/08/29 [Pw_forum] input of B10 STRUCTURE Wang Di
• 2011/08/29 [Pw_forum] input of B10 STRUCTURE bhabya sahoo
• 2011/08/29 [Pw_forum] input of B10 STRUCTURE bhabya sahoo
• 2011/08/29 [Pw_forum] input of B10 STRUCTURE Wang Di
• 2011/08/29 [Pw_forum] Does SOC conflict with HSE06? lilonghua
• 2011/08/29 [Pw_forum] Problem with Ni/Ni3Al system [email protected]
• 2011/08/29 [Pw_forum] Problem with Ni/Ni3Al system Eugenio Furtado
• 2011/08/29 [Pw_forum] Serial algorithm Paolo Giannozzi
• 2011/08/29 [Pw_forum] Can not find minimum free energy by QHA Paolo Giannozzi
• 2011/08/29 [Pw_forum] Does SOC conflict with HSE06? Paolo Giannozzi
• 2011/08/29 [Pw_forum] Fermi energy in DOS calculation Paolo Giannozzi
• 2011/08/29 [Pw_forum] Problem with symmetry in Body center tetragonal structure Paolo Giannozzi
• 2011/08/29 [Pw_forum] Job openings at ICHEC Ivan Girotto
• 2011/08/29 [Pw_forum] Problem with Ni/Ni3Al system [email protected]
• 2011/08/29 [Pw_forum] input of B10 STRUCTURE bhabya sahoo
• 2011/08/29 [Pw_forum] (no subject) Gabriele Sclauzero
• 2011/08/29 [Pw_forum] Problem with symmetry in Body center tetragonal structure mayank gupta
• 2011/08/29 [Pw_forum] The number of bands increases with c-axial Stefano Baroni
• 2011/08/29 [Pw_forum] problem in lderiv curves for Sr pseuopotentials Lorenzo Paulatto
• 2011/08/29 [Pw_forum] problem in lderiv curves for Sr pseuopotentials karan deep
• 2011/08/29 [Pw_forum] The number of bands increases with c-axial sreekar guddeti
• 2011/08/29 [Pw_forum] (no subject) Cao TF
• 2011/08/29 [Pw_forum] Phonon: "data-file.#iq.#irr.xml" files Antonio
• 2011/08/29 [Pw_forum] Phonon: "data-file.#iq.#irr.xml" files Lorenzo Paulatto
• 2011/08/29 [Pw_forum] Phonon: "data-file.#iq.#irr.xml" files Antonio
• 2011/08/29 [Pw_forum] sample_bias of STM simulation Gabriele Sclauzero
• 2011/08/29 [Pw_forum] convergence w.r.t ecutwfc Amin Torabi
• 2011/08/29 [Pw_forum] sample_bias of STM simulation Mohsen Modaresi
• 2011/08/29 [Pw_forum] The number of bands increases with c-axial jchuang
• 2011/08/29 [Pw_forum] convergence w.r.t ecutwfc mohnish pandey
• 2011/08/28 [Pw_forum] Raman Spectra of Molecular Crystals xirainbow
• 2011/08/28 [Pw_forum] sample_bias of STM simulation Cao TF
• 2011/08/28 [Pw_forum] convergence w.r.t ecutwfc Amin Torabi
• 2011/08/28 [Pw_forum] Raman Spectra of Molecular Crystals "Kacper Drużbicki"
• 2011/08/27 [Pw_forum] KPOINTS sreekar guddeti
• 2011/08/27 [Pw_forum] error in epsilon.x calculation Mohsen Modaresi
• 2011/08/27 [Pw_forum] error in epsilon.x calculation Mahdi Faqieh nasiri
• 2011/08/26 [Pw_forum] units of q-vectors when performing the ph.x command Stefano de Gironcoli
• 2011/08/26 [Pw_forum] units of q-vectors when performing the ph.x command Elie Moujaes
• 2011/08/26 [Pw_forum] Fwd: KPOINTS bhabya sahoo
• 2011/08/26 [Pw_forum] KPOINTS bhabya sahoo
• 2011/08/25 [Pw_forum] Fermi energy in DOS calculation Tram Bui
• 2011/08/25 [Pw_forum] constrained magnetization calculation to converge at the ferromagnetic state sreekar guddeti
• 2011/08/25 [Pw_forum] specifying angles in QE jinxi
• 2011/08/25 [Pw_forum] specifying angles in QE Максим Попов
• 2011/08/25 [Pw_forum] specifying angles in QE Johannes Kreutzer
• 2011/08/25 [Pw_forum] PAW-pseudo potential in splittet phonon calculation Thomas Gruber
• 2011/08/25 [Pw_forum] constrained magnetization calculation to converge at the ferromagnetic state Gabriele Sclauzero
• 2011/08/25 [Pw_forum] constrained magnetization calculation to converge at the ferromagnetic state Arles V. Gil Rebaza
• 2011/08/25 [Pw_forum] constrained magnetization calculation to converge at the ferromagnetic state sreekar guddeti
• 2011/08/24 [Pw_forum] phonon instability GAO Zhe
• 2011/08/24 [Pw_forum] phonon instability Stefano Baroni
• 2011/08/24 [Pw_forum] convergence w.r.t ecutwfc Amin Torabi
• 2011/08/24 [Pw_forum] phonon instability GAO Zhe
• 2011/08/24 [Pw_forum] phonon instability bhabya sahoo
• 2011/08/24 [Pw_forum] phonon instability Mike Mehl
• 2011/08/24 [Pw_forum] phonon instability bhabya sahoo
• 2011/08/24 [Pw_forum] phonon instability Mike Mehl
• 2011/08/24 [Pw_forum] phonon instability bhabya sahoo
• 2011/08/24 [Pw_forum] phonon instability Mike Mehl
• 2011/08/24 [Pw_forum] bulk modulus Mohsen Modaresi
• 2011/08/23 [Pw_forum] bulk modulus bhabya sahoo
• 2011/08/23 [Pw_forum] Fwd: phonon instability bhabya sahoo
• 2011/08/23 [Pw_forum] vdW functional in Quantum-Espresso WF
• 2011/08/23 [Pw_forum] Does SOC conflict with HSE06? lilonghua
• 2011/08/23 [Pw_forum] phonon with LSDA+U Matteo Cococcioni
• 2011/08/23 [Pw_forum] phonon with LSDA+U hanghui chen
• 2011/08/23 [Pw_forum] phonon instability Stefano Baroni
• 2011/08/23 [Pw_forum] bulk modulus Stefano Baroni
• 2011/08/23 [Pw_forum] phonon instability bhabya sahoo
• 2011/08/23 [Pw_forum] B3LYP hybrid density functional Layla Martin-Samos
• 2011/08/23 [Pw_forum] B3LYP hybrid density functional ali ghafari
• 2011/08/23 [Pw_forum] bulk modulus bhabya sahoo
• 2011/08/22 [Pw_forum] partial band structure GAO Zhe
• 2011/08/22 [Pw_forum] partial band structure bhabya sahoo
• 2011/08/22 [Pw_forum] usage of recover=.true. (solved) Elie Moujaes
• 2011/08/22 [Pw_forum] usage of recover=.true. GAO Zhe
• 2011/08/22 [Pw_forum] Phonon Calculations: partial results lfhuang
• 2011/08/22 [Pw_forum] usage of recover=.true. Changru Ma
• 2011/08/22 [Pw_forum] usage of recover=.true. Gabriele Sclauzero
• 2011/08/22 [Pw_forum] usage of recover=.true. Elie Moujaes
• 2011/08/22 [Pw_forum] usage of recover=.true. Elie Moujaes
• 2011/08/22 [Pw_forum] usage of recover=.true. GAO Zhe
• 2011/08/22 [Pw_forum] usage of recover=.true. Changru Ma
• 2011/08/22 [Pw_forum] usage of recover=.true. Elie Moujaes
• 2011/08/22 [Pw_forum] Phonon Calculations: partial results Antonio
• 2011/08/22 [Pw_forum] Re : Thermal conductivity and Gruneisen parameters Stefano Baroni
• 2011/08/22 [Pw_forum] Re : Thermal conductivity and Gruneisen parameters Bertrand SITAMTZE
• 2011/08/21 [Pw_forum] Invitation to connect on LinkedIn Sanjeev Gupta
• 2011/08/21 [Pw_forum] Invitation to connect on LinkedIn Thaneshwor Kaloni via LinkedIn
• 2011/08/21 [Pw_forum] Can not find minimum free energy by QHA GAO Zhe
• 2011/08/21 [Pw_forum] K-point in phonon calculation 程迎春
• 2011/08/21 [Pw_forum] Re : Thermal conductivity and Gruneisen parameters Stefano Baroni
• 2011/08/20 [Pw_forum] K-point in phonon calculation Lo_wan_2005XW
• 2011/08/20 [Pw_forum] Re : Thermal conductivity and Gruneisen parameters Bertrand SITAMTZE
• 2011/08/19 [Pw_forum] Serial algorithm Ramesh Kumar
• 2011/08/19 [Pw_forum] discrepancies in tests Jose Luis Gordillo Ruiz
• 2011/08/19 [Pw_forum] usage of recover=.true. Elie Moujaes
• 2011/08/18 [Pw_forum] LDA_U, species not in the list Matteo Cococcioni
• 2011/08/18 [Pw_forum] LDA_U, species not in the list Vi Vo
• 2011/08/18 [Pw_forum] Slab relaxation with constrained atoms isaac motochi
• 2011/08/18 [Pw_forum] Slab relaxation with constrained atoms Christopher Heard
• 2011/08/18 [Pw_forum] Slab relaxation with constrained atoms isaac motochi
• 2011/08/18 [Pw_forum] Slab relaxation with constrained atoms Christopher Heard
• 2011/08/18 [Pw_forum] How to nscf with LDA+U Matteo Cococcioni
• 2011/08/18 [Pw_forum] How to nscf with LDA+U Vi Vo
• 2011/08/18 [Pw_forum] Smearing the occupations or not? Ari P Seitsonen
• 2011/08/17 [Pw_forum] problem in electronic structure of ZnO zafar rasheed
• 2011/08/17 [Pw_forum] Smearing the occupations or not? Abolore Musari
• 2011/08/17 [Pw_forum] Smearing the occupations or not? Abolore Musari
• 2011/08/17 [Pw_forum] Ce pseudo potential Vi Vo
• 2011/08/17 [Pw_forum] experimental Dit values versus DFT values [email protected]
• 2011/08/17 [Pw_forum] Pw_forum Digest, Vol 50, Issue 43 mashiat alaaii
• 2011/08/17 [Pw_forum] experimental Dit values versus DFT values Gabriele Sclauzero
• 2011/08/17 [Pw_forum] experimental Dit values versus DFT values Duy Le
• 2011/08/17 [Pw_forum] experimental Dit values versus DFT values mashiat alaaii
• 2011/08/17 [Pw_forum] Thermal conductivity and Gruneisen parameters Nicola Marzari
• 2011/08/17 [Pw_forum] QE v4.3.2 failed to read the input file of v4.3 Layla Martin-Samos
• 2011/08/17 [Pw_forum] QE v4.3.2 failed to read the input file of v4.3 lilonghua
• 2011/08/17 [Pw_forum] warning for 176 P63/m structure Stefano de Gironcoli
• 2011/08/16 [Pw_forum] warning for 176 P63/m structure Lo_wan_2005XW
• 2011/08/16 [Pw_forum] Thermal conductivity and Gruneisen parameters Payam Norouzzadeh
• 2011/08/16 [Pw_forum] QE v4.3.2 failed to read the input file of v4.3 Jörg Buchwald
• 2011/08/16 [Pw_forum] QE v4.3.2 failed to read the input file of v4.3 Layla Martin-Samos
• 2011/08/16 [Pw_forum] QE v4.3.2 failed to read the input file of v4.3 Jörg Buchwald
• 2011/08/16 [Pw_forum] QE v4.3.2 failed to read the input file of v4.3 Layla Martin-Samos
• 2011/08/16 [Pw_forum] QE v4.3.2 failed to read the input file of v4.3 Jörg Buchwald
• 2011/08/16 [Pw_forum] Calculation of surface and nanowire elastic constant KORIR KIPRONOH
• 2011/08/16 [Pw_forum] QHA Sanjeev Gupta
• 2011/08/16 [Pw_forum] QHA bhabya sahoo
• 2011/08/15 [Pw_forum] experimental Dit and theoretical Dit mashiat alaaii
• 2011/08/15 [Pw_forum] problem in electronic structure of ZnO Arles V. Gil Rebaza
• 2011/08/15 [Pw_forum] Dehydration reaction with QE Guntram Schmidt
• 2011/08/15 [Pw_forum] Temperature rescaling in MD calculation (DONG Rui) Antonio Tilocca
• 2011/08/15 [Pw_forum] problem in electronic structure of ZnO zafar rasheed
• 2011/08/14 [Pw_forum] (no subject) zafar rasheed
• 2011/08/14 [Pw_forum] problem with bands.x ver. 4.3.1 mike at.
• 2011/08/14 [Pw_forum] charge density Mansoureh Pashangpour
• 2011/08/14 [Pw_forum] band structure bhabya sahoo
• 2011/08/14 [Pw_forum] problem with bands.x ver. 4.3.1 [email protected]
• 2011/08/12 [Pw_forum] Strange bandstructure for metallic carbon nanotube chengyu yang
• 2011/08/12 [Pw_forum] Strange bandstructure for metallic carbon nanotube chengyu yang
• 2011/08/12 [Pw_forum] Temperature rescaling in MD calculation Changru Ma
• 2011/08/12 [Pw_forum] Temperature rescaling in MD calculation DONG Rui
• 2011/08/12 [Pw_forum] WAN90_example failed in library mode Nicola Marzari
• 2011/08/11 [Pw_forum] WAN90_example failed in library mode lilonghua
• 2011/08/11 [Pw_forum] Co Pseudopotential Izaak Williamson
• 2011/08/11 [Pw_forum] symmetry not found in pw.x and ph.x Paolo Giannozzi
• 2011/08/11 [Pw_forum] Invitation to connect on LinkedIn Stefano Baroni
• 2011/08/11 [Pw_forum] Problem in Xspectra calculation isaac motochi
• 2011/08/11 [Pw_forum] Problem in Xspectra calculation Paolo Giannozzi
• 2011/08/10 [Pw_forum] symmetry not found in pw.x and ph.x Riping WANG
• 2011/08/10 [Pw_forum] Invitation to connect on LinkedIn Mehrnoosh Hazrati via LinkedIn
• 2011/08/10 [Pw_forum] Convergence of Phonon with K points Prasenjit Ghosh
• 2011/08/10 [Pw_forum] Slow calculation of (5, 5) CNT transmission and complex bands. Gabriele Sclauzero
• 2011/08/10 [Pw_forum] Problem in Xspectra calculation mohnish pandey

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