pw_forum

Messages by Date

2012/07/01 [Pw_forum] Problem in using GGA+U for the PbSe Calculation Emine Kucukbenli
2012/07/01 [Pw_forum] Total energy too low David Furman
2012/07/01 [Pw_forum] reg: phonon Swetarekha Ram
2012/07/01 [Pw_forum] Problem in using GGA+U for the PbSe Calculation zafar rasheed
2012/07/01 [Pw_forum] Fw: Re: Problem in using GGA+U for the PbSe Calculation Stefano de Gironcoli
2012/07/01 [Pw_forum] Fw: Re: Problem in using GGA+U for the PbSe Calculation meghdad saeedian
2012/06/30 [Pw_forum] Problem in using GGA+U for the PbSe Calculation meghdad saeedian
2012/06/30 [Pw_forum] Fw: Re: Problem in using GGA+U for the PbSe Calculation meghdad saeedian
2012/06/30 [Pw_forum] Problem in using GGA+U for the PbSe Calculation Burak Himmetoglu
2012/06/30 [Pw_forum] Problem in using GGA+U for the PbSe Calculation meghdad saeedian
2012/06/29 [Pw_forum] k point generation MMS
2012/06/29 [Pw_forum] Problems about magnetic properties Duy Le
2012/06/29 [Pw_forum] k point generation [email protected]
2012/06/29 [Pw_forum] k point generation MMS
2012/06/29 [Pw_forum] problem about magnetic properties zafar rasheed
2012/06/29 [Pw_forum] Problems about magnetic properties shayan hemmatiyan
2012/06/29 [Pw_forum] Problems about magnetic properties zafar rasheed
2012/06/29 [Pw_forum] postdoc available Davide Tiana
2012/06/29 [Pw_forum] Kohn-Sham orbitals cube file, pp.x, output: 6 Lorenzo Paulatto
2012/06/29 [Pw_forum] Kohn-Sham orbitals cube file, pp.x, output: 6 [email protected]
2012/06/29 [Pw_forum] Charge Density of Each State Layla Martin-Samos
2012/06/28 [Pw_forum] internal FFTW vs FFTW3 Lorenzo Paulatto
2012/06/28 [Pw_forum] internal FFTW vs FFTW3 Roozbeh Sanaei
2012/06/28 [Pw_forum] Charge Density of Each State Gulcin Tetiker
2012/06/28 [Pw_forum] Charge Density of Each State Gulcin Tetiker
2012/06/28 [Pw_forum] Charge Density of Each State Lorenzo Paulatto
2012/06/28 [Pw_forum] Charge Density of Each State Gulcin Tetiker
2012/06/28 [Pw_forum] Charge Density of Each State Layla Martin-Samos
2012/06/28 [Pw_forum] Charge Density of Each State Thaneshwor Kaloni
2012/06/28 [Pw_forum] Charge Density of Each State Gulcin Tetiker
2012/06/28 [Pw_forum] Charge Density of Each State [email protected]
2012/06/28 [Pw_forum] Charge Density of Each State Gulcin Tetiker
2012/06/28 [Pw_forum] problem with soc+electric field calculations Thaneshwor Kaloni
2012/06/28 [Pw_forum] problem with soc+electric field calculations [email protected]
2012/06/28 [Pw_forum] Charge Density of Each State Guido Fratesi
2012/06/27 [Pw_forum] Charge Density of Each State Duy Le
2012/06/27 [Pw_forum] Charge Density of Each State Gulcin Kucukdalyan
2012/06/27 [Pw_forum] Charge density of each state Duy Le
2012/06/27 [Pw_forum] Charge Density of Each State Lorenzo Paulatto
2012/06/27 [Pw_forum] Charge Density of Each State Gulcin Tetiker
2012/06/27 [Pw_forum] Charge Density of Each State Lorenzo Paulatto
2012/06/27 [Pw_forum] Charge Density of Each State Gulcin Kucukdalyan
2012/06/27 [Pw_forum] Charge density of each state Gulcin Tetiker
2012/06/27 [Pw_forum] Kohn-Sham orbitals cube file Guido Fratesi
2012/06/27 [Pw_forum] Kohn-Sham orbitals cube file [email protected]
2012/06/27 [Pw_forum] Charge density of each state Layla Martin-Samos
2012/06/27 [Pw_forum] Can xpectra.x calculate XAS for metal? 程迎春
2012/06/27 [Pw_forum] Can xpectra.x calculate XAS for metal? Guido Fratesi
2012/06/26 [Pw_forum] where is qe-gipaw? 程迎春
2012/06/26 [Pw_forum] Charge density of each state Gulcin Kucukdalyan
2012/06/26 [Pw_forum] Can xpectra.x calculate XAS for metal? 程迎春
2012/06/26 [Pw_forum] ANY Promising Compiler and OS for running QE 5.0 TESTS and Examples? Axel Kohlmeyer
2012/06/26 [Pw_forum] ANY Promising Compiler and OS for running QE 5.0 TESTS and Examples? Paolo Giannozzi
2012/06/26 [Pw_forum] ANY Promising Compiler and OS for running QE 5.0 TESTS and Examples? Lorenzo Paulatto
2012/06/26 [Pw_forum] ANY Promising Compiler and OS for running QE 5.0 TESTS and Examples? Roozbeh Sanaei
2012/06/26 [Pw_forum] (no subject) Ranber Thakur
2012/06/26 [Pw_forum] where is qe-gipaw? 程迎春
2012/06/26 [Pw_forum] where is qe-gipaw? Huiqun Zhou
2012/06/26 [Pw_forum] where is qe-gipaw? Davide Ceresoli
2012/06/26 [Pw_forum] where is qe-gipaw? 程迎春
2012/06/25 [Pw_forum] (no subject) Paolo Giannozzi
2012/06/25 [Pw_forum] QE 5.0 compiled with Gfortran and iFort fails the check-cp.x.j and check-pw.x.j. Roozbeh Sanaei
2012/06/25 [Pw_forum] QE 5.0 compiled with Gfortran and iFort fails the check-cp.x.j and check-pw.x.j. Paolo Giannozzi
2012/06/25 [Pw_forum] QE 5.0 compiled with Gfortran and iFort fails the check-cp.x.j and check-pw.x.j. Roozbeh Sanaei
2012/06/25 [Pw_forum] Charge density of each state Gulcin Tetiker
2012/06/25 [Pw_forum] Charge density of each state Duy Le
2012/06/25 [Pw_forum] Charge density of each state Mohsen Modaresi
2012/06/25 [Pw_forum] Charge density of each state Gulcin Tetiker
2012/06/25 [Pw_forum] running QHA examples Abolore Musari
2012/06/25 [Pw_forum] (no subject) Ranber Thakur
2012/06/25 [Pw_forum] running QHA examples Lorenzo Paulatto
2012/06/25 [Pw_forum] problem with soc+electric field calculations Thaneshwor Kaloni
2012/06/25 [Pw_forum] running QHA examples Abolore Musari
2012/06/25 [Pw_forum] problem with soc+electric field calculations Gabriele Sclauzero
2012/06/25 [Pw_forum] running QHA examples Lorenzo Paulatto
2012/06/25 [Pw_forum] running QHA examples Abolore Musari
2012/06/25 [Pw_forum] Request DENIS MAGERO
2012/06/25 [Pw_forum] Request Layla Martin-Samos
2012/06/25 [Pw_forum] problem with soc+electric field calculations Thaneshwor Kaloni
2012/06/24 [Pw_forum] Request Yusuf Zuntu
2012/06/24 [Pw_forum] How can I change maximal number of k-points in the code Paolo Giannozzi
2012/06/24 [Pw_forum] How can I change maximal number of k-points in the code Magdalena Birowska
2012/06/24 [Pw_forum] (no subject) Abolore Musari
2012/06/24 [Pw_forum] running QHA examples Abolore Musari
2012/06/22 [Pw_forum] (no subject) Nicola Marzari
2012/06/22 [Pw_forum] (no subject) maryam sajedi
2012/06/22 [Pw_forum] dielectric constant mohaddeseh abbasnejad
2012/06/22 [Pw_forum] SCF Correction Too Large ... Sonu Kumar
2012/06/21 [Pw_forum] SCF Correction Too Large ... Stefano de Gironcoli
2012/06/21 [Pw_forum] electron_phonon="interpolated" with trans=.false. fails Alaska Subedi
2012/06/21 [Pw_forum] SCF Correction Too Large ... Vic Bermudez
2012/06/21 [Pw_forum] k-point-path Nandan Tandon
2012/06/21 [Pw_forum] Thank you Payam Norouzzadeh
2012/06/21 [Pw_forum] vdw-DF study for calcium decorated graphene Janet Wong
2012/06/21 [Pw_forum] k-point-path DENIS MAGERO
2012/06/21 [Pw_forum] projwfc.x error with spin orbit Virk Naunidh
2012/06/21 [Pw_forum] electronic excitation energy Stefano Baroni
2012/06/21 [Pw_forum] unexpected force_symmorphic behavior with explicit k grid Giovanni Pizzi
2012/06/20 [Pw_forum] electronic excitation energy bhabya sahoo
2012/06/20 [Pw_forum] electronic excitation energy Arles V. Gil Rebaza
2012/06/20 [Pw_forum] k-point-path Payam Norouzzadeh
2012/06/20 [Pw_forum] electronic excitation energy Stefano Baroni
2012/06/20 [Pw_forum] electronic excitation energy bhabya sahoo
2012/06/20 [Pw_forum] unexpected force_symmorphic behavior with explicit k grid Paolo Giannozzi
2012/06/20 [Pw_forum] unexpected force_symmorphic behavior with explicit k grid Giovanni Pizzi
2012/06/20 [Pw_forum] projwfc.x error with spin orbit Paolo Giannozzi
2012/06/20 [Pw_forum] projwfc.x error with spin orbit Virk Naunidh
2012/06/20 [Pw_forum] projwfc.x error with spin orbit Lorenzo Paulatto
2012/06/20 [Pw_forum] projwfc.x error with spin orbit Virk Naunidh
2012/06/19 [Pw_forum] Charge Density calculation Lorenzo Paulatto
2012/06/19 [Pw_forum] Charge Density calculation Gulcin Tetiker
2012/06/19 [Pw_forum] about environment dielectric constant 李晓东
2012/06/19 [Pw_forum] electron_phonon="interpolated" with trans=.false. fails Andrea Dal Corso
2012/06/19 [Pw_forum] Band gap of AlAs (zinc blende) ‏ Giuseppe Mattioli
2012/06/19 [Pw_forum] Band gap of AlAs (zinc blende)‏ ramzi alaya
2012/06/19 [Pw_forum] (no subject) Giuseppe Mattioli
2012/06/19 [Pw_forum] Re : (no subject) debbichi mourad
2012/06/19 [Pw_forum] Re : (no subject) debbichi mourad
2012/06/19 [Pw_forum] (no subject) Giuseppe Mattioli
2012/06/19 [Pw_forum] Error in compiling Quantum-Espresso 5.0-Gpu Peter Dunne
2012/06/19 [Pw_forum] (no subject) debbichi mourad
2012/06/19 [Pw_forum] Problem with convergence parameters forc_conv_thr and etot_conv_thr Giuseppe Mattioli
2012/06/18 [Pw_forum] Problem with convergence parameters forc_conv_thr and etot_conv_thr Lorenzo Paulatto
2012/06/18 [Pw_forum] Problem with convergence parameters forc_conv_thr and etot_conv_thr Gabriel Pagola
2012/06/18 [Pw_forum] Error in compiling Quantum-Espresso 5.0-Gpu Axel Kohlmeyer
2012/06/18 [Pw_forum] Error in compiling Quantum-Espresso 5.0-Gpu bf azi
2012/06/18 [Pw_forum] Array out of bound error in set_irr.f90 under espresso-5.0/PHonon/PH Andrea Dal Corso
2012/06/18 [Pw_forum] Array out of bound error in set_irr.f90 under espresso-5.0/PHonon/PH Yang Wang
2012/06/18 [Pw_forum] phonon mode symmetry format karan deep
2012/06/18 [Pw_forum] Quantum ESPRESSO 5.0 with GPU-accelerated PWscf available for download Filippo Spiga
2012/06/18 [Pw_forum] Regarding calculation of nmr spectra using gipaw.x Prasenjit Ghosh
2012/06/18 [Pw_forum] Regarding calculation of nmr spectra using gipaw.x Lorenzo Paulatto
2012/06/18 [Pw_forum] Regarding calculation of nmr spectra using gipaw.x Prasenjit Ghosh
2012/06/18 [Pw_forum] electron_phonon="interpolated" with trans=.false. fails Matteo Calandra
2012/06/17 [Pw_forum] Regarding calculation of nmr spectra using gipaw.x Lorenzo Paulatto
2012/06/17 [Pw_forum] d-orbitals in fully relativistic pseudopotential for Carbon -- band gap in graphene Martin Gmitra
2012/06/17 [Pw_forum] electron_phonon="interpolated" with trans=.false. fails Alaska Subedi
2012/06/17 [Pw_forum] electron_phonon="interpolated" with trans=.false. fails Alaska Subedi
2012/06/15 [Pw_forum] Regarding calculation of nmr spectra using gipaw.x Prasenjit Ghosh
2012/06/15 [Pw_forum] Phonon group velocity in different directions Stefano Baroni
2012/06/15 [Pw_forum] Phonon group velocity in different directions Payam Norouzzadeh
2012/06/15 [Pw_forum] wanT download Andrea Ferretti
2012/06/15 [Pw_forum] CRYSTAL OPTIMISATION Davide Tiana
2012/06/14 [Pw_forum] Plotting Band Structure by using Xmgrace Gulcin Tetiker
2012/06/14 [Pw_forum] wanT download Davide Tiana
2012/06/14 [Pw_forum] help Stefano Baroni
2012/06/14 [Pw_forum] piezoelectricity hamid hasanzadeh
2012/06/13 [Pw_forum] vdw-DF study for calcium decorated graphene Janet Wong
2012/06/13 [Pw_forum] help dd ddd
2012/06/13 [Pw_forum] Pw_forum Digest, Vol 60, Issue 19. Re:Cystal optimisation Davide Tiana
2012/06/12 [Pw_forum] CRYSTAl optimization Paolo Giannozzi
2012/06/12 [Pw_forum] CRYSTAl optimization MARTA FERRARO
2012/06/11 [Pw_forum] Calculation of Phonon disperison stopped automatically without any warning Paolo Giannozzi
2012/06/11 [Pw_forum] Am I right? Paolo Giannozzi
2012/06/11 [Pw_forum] TiO2.nscf Paolo Giannozzi
2012/06/11 [Pw_forum] Equation of state with PW.x Paolo Giannozzi
2012/06/11 [Pw_forum] Am I right? Peng Tao
2012/06/10 [Pw_forum] Possible small bug in matdyn.f90 Paolo Giannozzi
2012/06/10 [Pw_forum] Possible small bug in matdyn.f90 Hongjun Xiang
2012/06/10 [Pw_forum] Are the wlog, Tc got from lambda.x reasonable? Chen Si
2012/06/09 [Pw_forum] TiO2.nscf funmi ayedun
2012/06/08 [Pw_forum] Equation of state with PW.x GAO Zhe
2012/06/08 [Pw_forum] Orbital order in the non-collinear relativistic case... again! Rodrigo Neumann
2012/06/08 [Pw_forum] Equation of state with PW.x Lorenzo Paulatto
2012/06/08 [Pw_forum] Orbital order in the non-collinear relativistic case... again! Andrea Dal Corso
2012/06/08 [Pw_forum] Orbital order in the non-collinear relativistic case... again! Rodrigo Neumann
2012/06/08 [Pw_forum] Equation of state with PW.x David Furman
2012/06/07 [Pw_forum] Calculation of Phonon disperison stopped automatically without any warning Sheleon Zhang
2012/06/07 [Pw_forum] deformation potential for polar semiconductor Nandan Tandon
2012/06/07 [Pw_forum] deformation potential for polar semiconductor Nandan Tandon
2012/06/06 [Pw_forum] R: Re: lattice optimization with hybrid [email protected]
2012/06/06 [Pw_forum] problem witch wurtzite structure Stefano de Gironcoli
2012/06/06 [Pw_forum] problem witch wurtzite structure ramzi alaya
2012/06/06 [Pw_forum] deformation potential for polar semiconductor Nandan Tandon
2012/06/06 [Pw_forum] K-points implemented in TDDFPT? Giuseppe Mattioli
2012/06/06 [Pw_forum] flactuating total and absolute magnatization Lorenzo Paulatto
2012/06/06 [Pw_forum] lattice optimization with hybrid Giuseppe Mattioli
2012/06/06 [Pw_forum] flactuating total and absolute magnatization m rostami
2012/06/06 [Pw_forum] increasing temperature MD calculation Farzad Molani
2012/06/06 [Pw_forum] error with open64 compilers Arturo
2012/06/05 [Pw_forum] lattice optimization with hybrid Paolo Giannozzi
2012/06/05 [Pw_forum] about the electron-phonon coefficients Paolo Giannozzi
2012/06/05 [Pw_forum] K-points implemented in TDDFPT? Stefano Baroni
2012/06/05 [Pw_forum] K-points implemented in TDDFPT? Huang, Jingsong
2012/06/05 [Pw_forum] deformation potential for polar semiconductor Nandan Tandon
2012/06/05 [Pw_forum] error with open64 compilers Arturo
2012/06/05 [Pw_forum] question about the wrong point group symmetry operation recognized by pwscf Sanjay D. Gupta
2012/06/05 [Pw_forum] lattice optimization with hybrid [email protected]
2012/06/05 [Pw_forum] question about the wrong point group symmetry operation recognized by pwscf Sanjay D. Gupta
2012/06/05 [Pw_forum] error with open64 compilers Lorenzo Paulatto
2012/06/05 [Pw_forum] error with open64 compilers GAO Zhe
2012/06/05 [Pw_forum] error with open64 compilers Arturo
2012/06/05 [Pw_forum] error with open64 compilers Paolo Giannozzi
2012/06/05 [Pw_forum] error with open64 compilers Lorenzo Paulatto
2012/06/05 [Pw_forum] Pw_forum Digest, Vol 60, Issue 7 Stefano de Gironcoli
2012/06/05 [Pw_forum] error with open64 compilers Arturo
2012/06/05 [Pw_forum] Pw_forum Digest, Vol 60, Issue 7 Lorenzo Paulatto
2012/06/05 [Pw_forum] Pw_forum Digest, Vol 60, Issue 7 Sanjay D. Gupta
2012/06/04 [Pw_forum] question about the wrong point group symmetry operation recognized by pwscf Lorenzo Paulatto
2012/06/04 [Pw_forum] question about the wrong point group symmetry operation recognized by pwscf Sanjay D. Gupta