February 2013 Archives by author

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Starting: Fri Feb 1 05:23:37 CET 2013
Ending: Thu Feb 28 16:54:02 CET 2013
Messages: 220

• [Pw_forum] Pw_forum Digest, Vol 68, Issue 29   Shamsu Abubakar
• [Pw_forum] About HSE calculations   Marcos Veríssimo Alves
• [Pw_forum] About HSE calculations   Marcos Veríssimo Alves
• [Pw_forum] (no subject)   Lily Anh
• [Pw_forum] ph.x: Avoiding the recalculation of the band structure in distributed phonon dispersion jobs   Karttunen Antti
• [Pw_forum] ph.x: Avoiding the recalculation of the band structure in distributed phonon dispersion jobs   Karttunen Antti
• [Pw_forum] ph.x: Avoiding the recalculation of the band structure in distributed phonon dispersion jobs   Karttunen Antti
• [Pw_forum] ph.x: Avoiding the recalculation of the band structure in distributed phonon dispersion jobs   Karttunen Antti
• [Pw_forum] ph.x: Avoiding the recalculation of the band structure in distributed phonon dispersion jobs   Karttunen Antti
• [Pw_forum] ph.x: Avoiding the recalculation of the band structure in distributed phonon dispersion jobs   Karttunen Antti
• [Pw_forum] ph.x: Avoiding the recalculation of the band structure in distributed phonon dispersion jobs   Karttunen Antti
• [Pw_forum] Madelung Energy   Yavar Taghipour Azar
• [Pw_forum] Madelung Energy   Yavar Taghipour Azar
• [Pw_forum] Quantum Espresso features questions   David Azevedo
• [Pw_forum] error in make pw, after rev. 9674   Simon Binnie
• [Pw_forum] Zero point energy correction for energy barrier calculation   Pallavi Bothra
• [Pw_forum] hgh to UPF   Carsten
• [Pw_forum] coefficients of wavefunctions   John Chan
• [Pw_forum] coefficients of wavefunctions   John Chan
• [Pw_forum] t2g eg   Matteo Cococcioni
• [Pw_forum] Calculation of the dielectric tensor for PAW+Spin-Orbit (non-magnetic)   Andrea Dal Corso
• [Pw_forum] symmetry not recognized   Andrea Dal Corso
• [Pw_forum] Can we calculate the electron-phonon coupling using the PAW potential?   Andrea Dal Corso
• [Pw_forum] ph.x: Avoiding the recalculation of the band structure in distributed phonon dispersion jobs   Andrea Dal Corso
• [Pw_forum] ph.x: Avoiding the recalculation of the band structure in distributed phonon dispersion jobs   Andrea Dal Corso
• [Pw_forum] ph.x: Avoiding the recalculation of the band structure in distributed phonon dispersion jobs   Andrea Dal Corso
• [Pw_forum] ph.x: Avoiding the recalculation of the band structure in distributed phonon dispersion jobs   Andrea Dal Corso
• [Pw_forum] Problem with pseudo-potential Pt.pbe-n-van.UPF   Mostafa Dadras
• [Pw_forum] Disparities between HPC's   Jack Davis
• [Pw_forum] Disparities between HPC's   Jack Davis
• [Pw_forum] Disparities between HPC's   Jack Davis
• [Pw_forum] Disparities between HPC's   Jack Davis
• [Pw_forum] Disparities between HPC's   Jack Davis
• [Pw_forum] Disparities between HPC's   Kucukbenli Emine
• [Pw_forum] Technique for converging Ecut and K-points?   Kucukbenli Emine
• [Pw_forum] "Bad Termination" Error   Angga Fauzi
• [Pw_forum] Question about charged supercell   Prasenjit Ghosh
• [Pw_forum] gamma_only problem with bands.x   Prasenjit Ghosh
• [Pw_forum] Error in routine regterg (5014): cannot allocate psi   Paolo Giannozzi
• [Pw_forum] Fermi-surface plot   Paolo Giannozzi
• [Pw_forum] Iron & Starting Magnetization   Paolo Giannozzi
• [Pw_forum] Workfunction in STM calculation   Paolo Giannozzi
• [Pw_forum] question on parallelism options and scaling factor   Paolo Giannozzi
• [Pw_forum] Problem with pseudo-potential Pt.pbe-n-van.UPF   Paolo Giannozzi
• [Pw_forum] Disparities between HPC's   Paolo Giannozzi
• [Pw_forum] error in make pw, after rev. 9674   Paolo Giannozzi
• [Pw_forum] error in make pw, after rev. 9674   Paolo Giannozzi
• [Pw_forum] Disparities between HPC's   Paolo Giannozzi
• [Pw_forum] About HSE calculations   Paolo Giannozzi
• [Pw_forum] Reading from standard input freeze on Mac Os X   Paolo Giannozzi
• [Pw_forum] Error with neb.x   Paolo Giannozzi
• [Pw_forum] About HSE calculations   Paolo Giannozzi
• [Pw_forum] IOTK Errors and Ifort Compilers   Paolo Giannozzi
• [Pw_forum] Error compiling GIPAW   Paolo Giannozzi
• [Pw_forum] Error compiling GIPAW   Paolo Giannozzi
• [Pw_forum] ph.x: Avoiding the recalculation of the band structure in distributed phonon dispersion jobs   Paolo Giannozzi
• [Pw_forum] phonon density of states calculation of a mono-clinic crystal   Paolo Giannozzi
• [Pw_forum] local and global minimums in relaxation   Paolo Giannozzi
• [Pw_forum] Disparities between HPC's   Paolo Giannozzi
• [Pw_forum] local and global minimums in relaxation   Paolo Giannozzi
• [Pw_forum] Disparities between HPC's   Paolo Giannozzi
• [Pw_forum] Disparities between HPC's   Paolo Giannozzi
• [Pw_forum] similar to :cpmd2cube.x -halfmesh -psi WAVEFUNCTION.2   Paolo Giannozzi
• [Pw_forum] IOTK Errors and Ifort Compilers   Paolo Giannozzi
• [Pw_forum] Advanced Linear Response (Especially Phonons)   Paolo Giannozzi
• [Pw_forum] charge density with denser grid and wrong cube file   Paolo Giannozzi
• [Pw_forum] charge density with denser grid and wrong cube file   Paolo Giannozzi
• [Pw_forum] pwscf archive engine   Paolo Giannozzi
• [Pw_forum] Fwd: pwscf archive engine   Paolo Giannozzi
• [Pw_forum] Question about charged supercell   Paolo Giannozzi
• [Pw_forum] "Bad Termination" Error   Paolo Giannozzi
• [Pw_forum] Technique for converging Ecut and K-points?   Paolo Giannozzi
• [Pw_forum] Question about charged supercell   Paolo Giannozzi
• [Pw_forum] Question about charged supercell   Paolo Giannozzi
• [Pw_forum] Question about charged supercell   Paolo Giannozzi
• [Pw_forum] ev.x with parallel execution   Paolo Giannozzi
• [Pw_forum] charge density data in pp.x   Paolo Giannozzi
• [Pw_forum] charge density data in pp.x   Paolo Giannozzi
• [Pw_forum] heat and quench using BO MD   Stefano de Gironcoli
• [Pw_forum] Question about charged supercell   Stefano de Gironcoli
• [Pw_forum] Technique for converging Ecut and K-points?   Stefano de Gironcoli
• [Pw_forum] Technique for converging Ecut and K-points?   Stefano de Gironcoli
• [Pw_forum] Technique for converging Ecut and K-points?   Stefano de Gironcoli
• [Pw_forum] error in make pw, after rev. 9674   Marco Govoni
• [Pw_forum] error in make pw, after rev. 9674   Marco Govoni
• [Pw_forum] error in make pw, after rev. 9674   Marco Govoni
• [Pw_forum] error in make pw, after rev. 9674   Marco Govoni
• [Pw_forum] charge density with denser grid and wrong cube file   Thomas Gruber
• [Pw_forum] charge density with denser grid and wrong cube file   Thomas Gruber
• [Pw_forum] Forces in full LDA+U scheme are not yet implemented   Burak Himmetoglu
• [Pw_forum] QUESTION ABOUT PDOS   Ali KACHMAR
• [Pw_forum] Question about Work Function calculation   Ali KACHMAR
• [Pw_forum] Workfunction in STM calculation   Ali KACHMAR
• [Pw_forum] MD simulation temperature   Ali KACHMAR
• [Pw_forum] MD simulation temperature   Ali KACHMAR
• [Pw_forum] Error with neb.x   Ali KACHMAR
• [Pw_forum] Error with neb.x   Ali KACHMAR
• [Pw_forum] Reading from standard input freeze on Mac Os X   Ali KACHMAR
• [Pw_forum] Error with neb.x   Ali KACHMAR
• [Pw_forum] Madelung Energy   Ali KACHMAR
• [Pw_forum] Disparities between HPC's   Ali KACHMAR
• [Pw_forum] Disparities between HPC's   Ali KACHMAR
• [Pw_forum] pwscf archive engine   Ali KACHMAR
• [Pw_forum] Fwd: pwscf archive engine   Ali KACHMAR
• [Pw_forum] "Bad Termination" Error   Ali KACHMAR
• [Pw_forum] Technique for converging Ecut and K-points?   Ali KACHMAR
• [Pw_forum] Technique for converging Ecut and K-points?   Ali KACHMAR
• [Pw_forum] ev.x with parallel execution   Ali KACHMAR
• [Pw_forum] Pwscf archive   Ali Kachmar
• [Pw_forum] Disparities between HPC's   Ali Kachmar
• [Pw_forum] Fwd: pwscf archive engine   Ali Kachmar
• [Pw_forum] DMFT Bloch spectral function   Kiss, Ioan
• [Pw_forum] similar to :cpmd2cube.x -halfmesh -psi WAVEFUNCTION.2   Axel Kohlmeyer
• [Pw_forum] Fwd: pwscf archive engine   Axel Kohlmeyer
• [Pw_forum] Reading from standard input freeze on Mac Os X   Dmitry Korotin
• [Pw_forum] Reading from standard input freeze on Mac Os X   Dmitry Korotin
• [Pw_forum] Technique for converging Ecut and K-points?   Dmitry Korotin
• [Pw_forum] Calculation of the dielectric tensor for PAW+Spin-Orbit (non-magnetic)   H. Lee
• [Pw_forum] Fermi-surface plot   Y. L. Li
• [Pw_forum] charge density data in pp.x   Ruibin Liu
• [Pw_forum] charge density data in pp.x   Ruibin Liu
• [Pw_forum] charge density data in pp.x   Ruibin Liu
• [Pw_forum] charge density data in pp.x   Ruibin Liu
• [Pw_forum] Postdoctoral Research Associate Position Opening at BNL   Deyu Lu
• [Pw_forum] local and global minimums in relaxation   Mike Marchywka
• [Pw_forum] local and global minimums in relaxation   Mike Marchywka
• [Pw_forum] local and global minimums in relaxation   Mike Marchywka
• [Pw_forum] About HSE calculations   Layla Martin-Samos
• [Pw_forum] hgh to UPF   Layla Martin-Samos
• [Pw_forum] Question about charged supercell   Nicola Marzari
• [Pw_forum] Technique for converging Ecut and K-points?   Nicola Marzari
• [Pw_forum] Technique for converging Ecut and K-points?   Nicola Marzari
• [Pw_forum] calculate the XANES in absolute energy scale using QE   Giuseppe Mattioli
• [Pw_forum] d projections   Giuseppe Mattioli
• [Pw_forum] Confusion about band structure   Giuseppe Mattioli
• [Pw_forum] phonon density of states calculation of a mono-clinic crystal   Matthijs Mentink
• [Pw_forum] phonon density of states calculation of a mono-clinic crystal   Matthijs Mentink
• [Pw_forum] (no subject)   Shiva Mokhavat
• [Pw_forum] ph.x and fildrho-file   Sergey Nikolaev
• [Pw_forum] Iron & Starting Magnetization   Ben Palmer
• [Pw_forum] Iron & Starting Magnetization   Ben Palmer
• [Pw_forum] Disparities between HPC's   Ben Palmer
• [Pw_forum] IOTK Errors and Ifort Compilers   Ben Palmer
• [Pw_forum] IOTK Errors and Ifort Compilers   Ben Palmer
• [Pw_forum] IOTK Errors and Ifort Compilers   Ben Palmer
• [Pw_forum] Technique for converging Ecut and K-points?   Ben Palmer
• [Pw_forum] Technique for converging Ecut and K-points?   Ben Palmer
• [Pw_forum] Technique for converging Ecut and K-points?   Ben Palmer
• [Pw_forum] Technique for converging Ecut and K-points?   Ben Palmer
• [Pw_forum] Technique for converging Ecut and K-points?   Ben Palmer
• [Pw_forum] Technique for converging Ecut and K-points?   Ben Palmer
• [Pw_forum] Technique for converging Ecut and K-points?   Ben Palmer
• [Pw_forum] Technique for converging Ecut and K-points?   Ben Palmer
• [Pw_forum] Technique for converging Ecut and K-points?   Ben Palmer
• [Pw_forum] Technique for converging Ecut and K-points?   Ben Palmer
• [Pw_forum] error in make pw, after rev. 9674   Lorenzo Paulatto
• [Pw_forum] Disparities between HPC's   Lorenzo Paulatto
• [Pw_forum] ph.x: Avoiding the recalculation of the band structure in distributed phonon dispersion jobs   Lorenzo Paulatto
• [Pw_forum] local and global minimums in relaxation   Lorenzo Paulatto
• [Pw_forum] (no subject)   Lorenzo Paulatto
• [Pw_forum] gamma_only problem with bands.x   Lorenzo Paulatto
• [Pw_forum] No access to archive search   Natalia Pavlenko
• [Pw_forum] Fwd: pwscf archive engine   Natalia Pavlenko
• [Pw_forum] Fwd: pwscf archive engine   Natalia Pavlenko
• [Pw_forum] question on parallelism options and scaling factor   Giovanni Pizzi
• [Pw_forum] phonon density of states calculation of a mono-clinic crystal   Giovanni Pizzi
• [Pw_forum] phonon density of states calculation of a mono-clinic crystal   Giovanni Pizzi
• [Pw_forum] Technique for converging Ecut and K-points?   Maxim Popov
• [Pw_forum] reg: phonon   Swetarekha Ram
• [Pw_forum] Reg: phonon   Swetarekha Ram
• [Pw_forum] Workfunction in STM calculation   Gabriele Sclauzero
• [Pw_forum] Workfunction in STM calculation   Gabriele Sclauzero
• [Pw_forum] Error with neb.x   Mauro Sgroi
• [Pw_forum] Error with neb.x   Mauro Sgroi
• [Pw_forum] Error with neb.x   Mauro Sgroi
• [Pw_forum] Error compiling GIPAW   Mauro Sgroi
• [Pw_forum] Error compiling GIPAW   Mauro Sgroi
• [Pw_forum] Error compiling GIPAW   Mauro Sgroi
• [Pw_forum] Error compiling GIPAW   Mauro Sgroi
• [Pw_forum] Madelung Energy   Mahmoud Payami Shabestari
• [Pw_forum] Madelung Energy   Mahmoud Payami Shabestari
• [Pw_forum] Question about charged supercell   Mahmoud Payami Shabestari
• [Pw_forum] Question about charged supercell   Mahmoud Payami Shabestari
• [Pw_forum] Question about charged supercell   Mahmoud Payami Shabestari
• [Pw_forum] Question about charged supercell   Mahmoud Payami Shabestari
• [Pw_forum] Question about charged supercell   Mahmoud Payami Shabestari
• [Pw_forum] Question about charged supercell   Mahmoud Payami Shabestari
• [Pw_forum] Question about charged supercell   Mahmoud Payami Shabestari
• [Pw_forum] gamma_only problem with bands.x   Surender
• [Pw_forum] gamma_only problem with bands.x   Surender
• [Pw_forum] t2g eg   Sakhrawi Taoufek
• [Pw_forum] d projections   Sakhrawi Taoufek
• [Pw_forum] ev.x with parallel execution   Sakhrawi Taoufek
• [Pw_forum] calculate the XANES in absolute energy scale using QE   Feng Tian
• [Pw_forum] Pw_forum post acknowledgement   Feng Tian
• [Pw_forum] Advanced Linear Response (Especially Phonons)   W2AGZ
• [Pw_forum] la2F   W2AGZ
• [Pw_forum] Forces in full LDA+U scheme are not yet implemented   Izaak Williamson
• [Pw_forum] symmetry not recognized   Jennifer Wohlwend
• [Pw_forum] symmetry not recognized   Jennifer Wohlwend
• [Pw_forum] Can we calculate the electron-phonon coupling using the PAW potential?   Wei Zhou
• [Pw_forum] Can we calculate the electron-phonon coupling using the PAW potential?   Wei Zhou
• [Pw_forum] question on parallelism options and scaling factor   pascal boulet
• [Pw_forum] question on parallelism options and scaling factor   pascal boulet
• [Pw_forum] question on parallelism options and scaling factor   pascal boulet
• [Pw_forum] similar to :cpmd2cube.x -halfmesh -psi WAVEFUNCTION.2   nazari at iasbs.ac.ir
• [Pw_forum] similar to :cpmd2cube.x -halfmesh -psi WAVEFUNCTION.2   nazari at iasbs.ac.ir
• [Pw_forum] Question about Work Function calculation   nima nariman
• [Pw_forum] Zero point energy correction for energy barrier calculation   mohnish pandey
• [Pw_forum] MD simulation temperature   niladri patra
• [Pw_forum] MD simulation temperature   niladri patra
• [Pw_forum] heat and quench using BO MD   dev pe
• [Pw_forum] Workfunction in STM calculation   andreim at physics.rutgers.edu
• [Pw_forum] Workfunction in STM calculation   andreim at physics.rutgers.edu
• [Pw_forum] Confusion about band structure   zafar rasheed
• [Pw_forum] QUESTION ABOUT PDOS   maryam salehi
• [Pw_forum] Error in routine regterg (5014): cannot allocate psi   vijaya subramanian
• [Pw_forum] 3D band structure   zahra vatankhah
• [Pw_forum] Does dens grid contain the whole carse grid in calculation of EPI?   whwaniphy
• [Pw_forum] mode symmetry   昶棘汐

Last message date: Thu Feb 28 16:54:02 CET 2013
Archived on: Wed Feb 28 11:10:59 CET 2018

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