June 2012 Archives by author

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Starting: Fri Jun 1 01:08:40 CEST 2012
Ending: Sat Jun 30 21:26:44 CEST 2012
Messages: 217

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

Last message date: Sat Jun 30 21:26:44 CEST 2012
Archived on: Wed Feb 28 11:07:30 CET 2018

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