September 2015 Archives by subject

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Starting: Tue Sep 1 00:33:49 CEST 2015
Ending: Wed Sep 30 18:58:56 CEST 2015
Messages: 251

• [Pw_forum] "orbital projected" band structure   Sharma SRK Chaitanya Yamijala
• [Pw_forum] "orbital projected" band structure   Jeffrey Mullen
• [Pw_forum] "orbital projected" band structure   Sharma SRK Chaitanya Yamijala
• [Pw_forum] "orbital projected" band structure   BARRETEAU Cyrille
• [Pw_forum] A-type AFM of LaMnO3   Jaret Qi
• [Pw_forum] A-type AFM of LaMnO3   Giovanni Cantele
• [Pw_forum] A-type AFM of LaMnO3 (Jaret Qi)   Jaret Qi
• [Pw_forum] about MPI and OpenMP threads for QE-GPU   Filippo Spiga
• [Pw_forum] about MPI and OpenMP threads for QE-GPU   Filippo Spiga
• [Pw_forum] Application of LDA+U in phonon calculations.   saswata halder
• [Pw_forum] Application of LDA+U in phonon calculations.   Youssef
• [Pw_forum] Application of LDA+U in phonon calculations.   W2AGZ
• [Pw_forum] Application of LDA+U in phonon calculations.   Youssef
• [Pw_forum] applying E-field and results in odd phonon-frequencies, am I allowed to align the frequencies?   Zohreh Dabiri
• [Pw_forum] applying E-field and results in odd phonon-frequencies, am I allowed to align the frequencies?   Lorenzo Paulatto
• [Pw_forum] A question about constructing model hamiltonian using PWSCF   庞瑞(PANG Rui)
• [Pw_forum] A question about constructing model hamiltonian using PWSCF   庞瑞(PANG Rui)
• [Pw_forum] A question about constructing model hamiltonian using PWSCF   Nicola Marzari
• [Pw_forum] A question about constructing model hamiltonianusing PWSCF   庞瑞(PANG Rui)
• [Pw_forum] average.x input file   naphtaly moro
• [Pw_forum] band parallelisation what am I missing?   Tiana Davide
• [Pw_forum] band parallelisation what am I missing?   Lorenzo Paulatto
• [Pw_forum] band parallelisation what am I missing?   Paolo Giannozzi
• [Pw_forum] band parallelization   Tiana Davide
• [Pw_forum] band parallelization   Lorenzo Paulatto
• [Pw_forum] bands.x error   Krishnaiah Kallamadi
• [Pw_forum] bands.x error   xiaochuan Ge
• [Pw_forum] Berry Phase calculation - THE INFLUENCE OF THE ATOMIC MODEL   Francesco Pelizza
• [Pw_forum] Berry Phase calculation - THE INFLUENCE OF THE ATOMIC MODEL   Paolo Giannozzi
• [Pw_forum] better phonon parallelization   adwait mevada
• [Pw_forum] Carrier concentration in Si   Khara, Galvin
• [Pw_forum] Carrier concentration in Si   Lorenzo Paulatto
• [Pw_forum] Carrier concentration in Si   Peter Cybertron
• [Pw_forum] Carrier concentration in Si   Khara, Galvin
• [Pw_forum] Cell parameters representation for cubic fcc(111) Iridium structure   Venkataramana Imandi
• [Pw_forum] Cell parameters representation for cubic fcc(111) Iridium structure   Arles V. Gil Rebaza
• [Pw_forum] Cell parameters representation for cubic fcc(111) Iridium structure   Venkataramana Imandi
• [Pw_forum] Cell parameters representation for cubic fcc(111) Iridium structure   Venkataramana Imandi
• [Pw_forum] convergence test for supercell   Jaret Qi
• [Pw_forum] Cut-off and 6 core   reyna mendez camacho
• [Pw_forum] Cut-off and 6 core   reyna mendez camacho
• [Pw_forum] Cut-off and 6 core   Paolo Giannozzi
• [Pw_forum] Cut-off and 6 core   reyna mendez camacho
• [Pw_forum] DFT+U   paresh rout
• [Pw_forum] DFT+U   Matteo Cococcioni
• [Pw_forum] Dielectric constant calculations for InAs   Zhiping Xu
• [Pw_forum] Dielectric constant calculations for InAs   Andrea Dal Corso
• [Pw_forum] difference between cpu time and wall time   mohammed shambakey
• [Pw_forum] difference between cpu time and wall time   Paolo Giannozzi
• [Pw_forum] difference between cpu time and wall time   mohammed shambakey
• [Pw_forum] difference between cpu time and wall time   Paolo Giannozzi
• [Pw_forum] DOS Calculation   Kanak Datta
• [Pw_forum] DOS Calculation   Filipe Camargo Dalmatti Alves Lima
• [Pw_forum] dynmat.f90 and raman configuration   José Gadelha da Silva Filho
• [Pw_forum] eamp in Dipole Correction   Manjusha Chugh
• [Pw_forum] eamp in Dipole Correction   Giovanni Cantele
• [Pw_forum] eamp in Dipole Correction   Manjusha Chugh
• [Pw_forum] Effective parallel implementation?   Bang C. Huynh
• [Pw_forum] Effective parallel implementation?   Pascal Boulet
• [Pw_forum] Effective parallel implementation?   Paolo Giannozzi
• [Pw_forum] Effective parallel implementation?   Bang C. Huynh
• [Pw_forum] Effective parallel implementation?   Paolo Giannozzi
• [Pw_forum] Electronic band structure error   Cameron Foss
• [Pw_forum] Electronic band structure error   Paolo Giannozzi
• [Pw_forum] equivalent supercells, vdW, stresses   Niels Walet
• [Pw_forum] equivalent supercells, vdW, stresses   stefano de gironcoli
• [Pw_forum] equivalent supercells, vdW, stresses   Niels R. Walet
• [Pw_forum] Error for fft_scalar.f90   Mutlu COLAKOGULLARI
• [Pw_forum] Error for fft_scalar.f90   Paolo Giannozzi
• [Pw_forum] Error for fft_scalar.f90   Mutlu COLAKOGULLARI
• [Pw_forum] Error in Calculus of bands   Yenner Bentarcurt
• [Pw_forum] Error in Calculus of bands   Pascal Boulet
• [Pw_forum] error in charge density difference (chden.f90)   Juliana Mendes
• [Pw_forum] error in charge density difference (chden.f90)   Paolo Giannozzi
• [Pw_forum] error in charge density difference (chden.f90)   Juliana Mendes
• [Pw_forum] Error in TDFPT calculations   meysam pazoki
• [Pw_forum] Error in TDFPT calculations   Giuseppe Mattioli
• [Pw_forum] Error in TDFPT calculations   meysam pazoki
• [Pw_forum] Error in TDFPT calculations   meysam pazoki
• [Pw_forum] Error in TDFPT calculations   Iurii Timrov
• [Pw_forum] Error in TDFPT calculations   meysam pazoki
• [Pw_forum] Error in TDFPT calculations   Iurii Timrov
• [Pw_forum] Error while configuring for parallel operating   Bahadır salmankurt
• [Pw_forum] Error while configuring for parallel operating   Paolo Giannozzi
• [Pw_forum] Error while configuring for parallel operating   Bahadır salmankurt
• [Pw_forum] FD PHonon-package   Tobias Kloeffel
• [Pw_forum] Finding the most stable structure   reza vatan
• [Pw_forum] Finding the most stable structure   Mostafa Youssef
• [Pw_forum] Finding the most stable structure   庞瑞(PANG Rui)
• [Pw_forum] Force calculation time in relaxation under electric field   Mostafa Youssef
• [Pw_forum] Force calculation time in relaxation under electric field   Paolo Giannozzi
• [Pw_forum] Force calculation time in relaxation under electric field   Mostafa Youssef
• [Pw_forum] Force calculation time in relaxation under electric field   Paolo Giannozzi
• [Pw_forum] Force calculation time in relaxation under electric field   Mostafa Youssef
• [Pw_forum] FW: Cut-off and 6 core   reyna mendez camacho
• [Pw_forum] highest occupied level is higher than the lowest unoccupied level in SCF!   Zahra Taghipour
• [Pw_forum] highest occupied level is higher than the lowest unoccupied level in SCF!   Paolo Giannozzi
• [Pw_forum] high pressure calculation   Raj kamal
• [Pw_forum] high pressure calculation   Bramha Pandey
• [Pw_forum] Hubbard_J for Zr   Jaret Qi
• [Pw_forum] Hubbard term in optical properties   Winfred Mulwa
• [Pw_forum] Hubbard term in optical properties   yuewen.fang
• [Pw_forum] ibrav = 13 monoclinic-base-centered unique axis   Ludwig, Stephan
• [Pw_forum] ibrav = 13 monoclinic-base-centered unique axis   Andrea Dal Corso
• [Pw_forum] installation prblem for v5.0.2   Yue-Wen Fang
• [Pw_forum] installation prblem for v5.0.2   Lorenzo Paulatto
• [Pw_forum] installation prblem for v5.0.2   yuewen.fang
• [Pw_forum] installation prblem for v5.0.2   Ari Paavo Seitsonen
• [Pw_forum] installation prblem for v5.0.2   Lorenzo Paulatto
• [Pw_forum] Installing problem (MPI error) with QE5.2.0   张满红
• [Pw_forum] Installing problem (MPI error) with QE5.2.0   庞瑞(PANG Rui)
• [Pw_forum] Installing problem (MPI error) with QE5.2.0   Manuel Pérez Jigato
• [Pw_forum] Installing problem (MPI error) with QE5.2.0   Manuel Pérez Jigato
• [Pw_forum] Installing problem (MPI error) with QE5.2.0   Paolo Giannozzi
• [Pw_forum] Installing problem (MPI error) with QE5.2.0   张满红
• [Pw_forum] INSTALL QE ON MAC PRO SIX CORE (INTEL XEON E5)   reyna mendez camacho
• [Pw_forum] INSTALL QE ON MAC PRO SIX CORE (INTEL XEON E5)   Lorenzo Paulatto
• [Pw_forum] INSTALL QE ON MAC PRO SIX CORE (INTEL XEON E5)   reyna mendez camacho
• [Pw_forum] INSTALL QE ON MAC PRO SIX CORE (INTEL XEON E5)   Axel Kohlmeyer
• [Pw_forum] INSTALL QE ON MAC PRO SIX CORE (INTEL XEON E5)   Filippo Spiga
• [Pw_forum] INSTALL QE ON MAC PRO SIX CORE (INTEL XEON E5)   reyna mendez camacho
• [Pw_forum] INSTALL QE ON MAC PRO SIX CORE (INTEL XEON E5)   Paolo Giannozzi
• [Pw_forum] Interatomic potential   adwait mevada
• [Pw_forum] Is there any way to perform phonon calculation depending on temperature?   Bahadır salmankurt
• [Pw_forum] Is there any way to perform phonon calculation depending on temperature?   Lorenzo Paulatto
• [Pw_forum] Is there any way to perform phonon calculation depending on temperature?   Bahadır salmankurt
• [Pw_forum] kpoints for transmission calculations and complex band structures?   Yue-Wen Fang
• [Pw_forum] kpoints for transmission calculations and complex band structures?   Filipe Camargo Dalmatti Alves Lima
• [Pw_forum] kpoints for transmission calculations and complex band structures?   Yue-Wen Fang
• [Pw_forum] LaMnO3 tetragonal   Jaret Qi
• [Pw_forum] Langevin dynamics   Venkataramana Imandi
• [Pw_forum] LDA+U+spin-orbit coupling?   E. H. Smith
• [Pw_forum] LDA+U+spin-orbit coupling?   Paolo Giannozzi
• [Pw_forum] LDA+U+spin-orbit coupling?   E. H. Smith
• [Pw_forum] LDA+U+spin-orbit coupling?   Paolo Giannozzi
• [Pw_forum] lda+u and magnetization   Jaret Qi
• [Pw_forum] LiBaBO3 input file   Winfred Mulwa
• [Pw_forum] LiBaBO3 input file   Nicola Marzari
• [Pw_forum] LiBaBO3 input file   Winfred Mulwa
• [Pw_forum] magnetic anisotropy calculation using fully-relativistic PPs   Peter Cybertron
• [Pw_forum] magnetic anisotropy calculation using fully-relativistic PPs   azadeh aezami
• [Pw_forum] magnetic anisotropy calculation using fully-relativistic PPs   Ari P Seitsonen
• [Pw_forum] magnetic anisotropy calculation using fully-relativistic PPs   Youssef
• [Pw_forum] magnetic anisotropy calculation using fully-relativistic PPs   Peter Cybertron
• [Pw_forum] magnetic anisotropy calculation using fully-relativistic PPs   yuewen.fang
• [Pw_forum] magnetic anisotropy calculation using fully-relativistic PPs   peter
• [Pw_forum] magnetic anisotropy calculation using fully-relativistic PPs   yuewen.fang
• [Pw_forum] magnetic anisotropy calculation using fully-relativistic PPs   peter
• [Pw_forum] magnetic anisotropy calculation using fully-relativistic PPs   BARRETEAU Cyrille
• [Pw_forum] magnetic anisotropy calculation using fully-relativistic PPs   peter
• [Pw_forum] magnetic anisotropy calculation using fully-relativistic PPs   peter
• [Pw_forum] magnetic anisotropy calculation using fully-relativistic PPs   BARRETEAU Cyrille
• [Pw_forum] magnetic anisotropy calculation using fully-relativistic PPs   peter
• [Pw_forum] magnetic anisotropy calculation using fully-relativistic PPs   peter
• [Pw_forum] magnetic anisotropy calculation using fully-relativistic PPs   BARRETEAU Cyrille
• [Pw_forum] Magnetization and type of run   Jaret Qi
• [Pw_forum] magnetization of La2/3Sr1/3MnO3   Jaret Qi
• [Pw_forum] Mean internal potential for e-microscopy   Cristian Degli Esposti Boschi
• [Pw_forum] Monolayer MoS2 band Structure   Cameron Foss
• [Pw_forum] Monolayer MoS2 band Structure   Thomas Brumme
• [Pw_forum] Monolayer MoS2 band Structure   Giovanni Cantele
• [Pw_forum] MoS2 nanoribbon   gyanu khatri
• [Pw_forum] MoS2 nanoribbon   Lorenzo Paulatto
• [Pw_forum] MoS2 nanoribbon   Ari Paavo Seitsonen
• [Pw_forum] negative occupation number   Partha Pal
• [Pw_forum] Nickel Silicide   DHIRENDRA VAIDYA
• [Pw_forum] normal modes visualization   Uri Argaman
• [Pw_forum] on hybrid functionals with spin-orbit coupling   J. Park
• [Pw_forum] optimization problem in mos2 nanoribbon   gyanu khatri
• [Pw_forum] Parity wave function   Mohsen Modaresi
• [Pw_forum] Parity wave function   Andrea Dal Corso
• [Pw_forum] Parity wave function   Mohsen Modaresi
• [Pw_forum] Parity wave function   Andrea Dal Corso
• [Pw_forum] Parity wave function   Andrea Dal Corso
• [Pw_forum] Parity wave function   Mohsen Modaresi
• [Pw_forum] phonon calculation for molecules   Naiwrit Karmodak
• [Pw_forum] phonon calculation for molecules   Lorenzo Paulatto
• [Pw_forum] Phonon calculations with DFT-D2   Latévi Max LAWSON DAKU
• [Pw_forum] Phonon calculations with DFT-D2   Giuseppe Mattioli
• [Pw_forum] Phonon calculations with DFT-D2   Latévi Max LAWSON DAKU
• [Pw_forum] PHonon Raman Spectra error   Raymond Gasper
• [Pw_forum] PHonon Raman Spectra error   nicola varini
• [Pw_forum] PHonon Raman Spectra error   Raymond Gasper
• [Pw_forum] PHonon Raman Spectra error   nicola varini
• [Pw_forum] ph with vdw-dft   stefano de gironcoli
• [Pw_forum] plot_num==9   Partha Pal
• [Pw_forum] polarization:5cells of pbtio3   Jaret Qi
• [Pw_forum] polarization:5cells of pbtio3   stefano de gironcoli
• [Pw_forum] polarization:5cells of pbtio3   Jaret Qi
• [Pw_forum] position available at Argonne National Laboratory   Govoni, Marco
• [Pw_forum] Postdoctoral position on ab initio calculations at University of Lorraine (Nancy, France)   dario rocca
• [Pw_forum] pp.x Error in routine chdens (1): nx, ny, nz, required   黄志硕
• [Pw_forum] pp.x Error in routine chdens (1): nx, ny, nz, required   Lorenzo Paulatto
• [Pw_forum] Pressure dependent calculations with SO copuling   Sharma SRK Chaitanya Yamijala
• [Pw_forum] Problem in average.x   Huang, Xu
• [Pw_forum] Problem in average.x   Giovanni Cantele
• [Pw_forum] Problem in average.x   Huang, Xu
• [Pw_forum] problem in optimizing nanotubes in QE   Naiwrit Karmodak
• [Pw_forum] problem in optimizing nanotubes in QE   Bahadır salmankurt
• [Pw_forum] problem in optimizing nanotubes in QE   Lorenzo Paulatto
• [Pw_forum] Problem in plotting potential using pp.x   Huang, Xu
• [Pw_forum] problem with phonon calculation   chaitanya varma
• [Pw_forum] problem with phonon calculation   dario rocca
• [Pw_forum] problem with phonon calculation   chaitanya varma
• [Pw_forum] Problem with phonon dispersion: q2r no flfrc produced   Ludwig, Stephan
• [Pw_forum] Problem with phonon dispersion: q2r no flfrc produced   Yue-Wen Fang
• [Pw_forum] Problem with vc-relax calculation - pwscf 5.1.2   Elham
• [Pw_forum] Projected DOS   Kanak Datta
• [Pw_forum] Projected DOS   Peter Cybertron
• [Pw_forum] Projected DOS   Lorenzo Paulatto
• [Pw_forum] Projected DOS   Kanak Datta
• [Pw_forum] Projected DOS   Paolo Giannozzi
• [Pw_forum] Pw_forum Digest, Vol 98, Issue 12   Kanak Datta
• [Pw_forum] q2r.x error   Sharad B. Pillai
• [Pw_forum] q2r.x error   stefano de gironcoli
• [Pw_forum] Range separated hybrid functional in Quantum ESPRESSO   Zhenfei Liu
• [Pw_forum] Read_rho_general error in ph.x calculation   Zhiping Xu
• [Pw_forum] Reconstruction of Si 001 surface   Bipul Rakshit
• [Pw_forum] Reconstruction of Si 001 surface   Giovanni Cantele
• [Pw_forum] regarding to calculate oxidation state   Raj kamal
• [Pw_forum] Run EPW in parallel   wangriping
• [Pw_forum] Some issues regarding spin-orbit calculation   Ajit Kumar Jena
• [Pw_forum] Spin-Orbit Calculation   Ajit Kumar Jena
• [Pw_forum] Spin-Orbit Calculation   roberta pigliapochi
• [Pw_forum] Spin-Orbit Calculation   Ajit Kumar Jena
• [Pw_forum] Temperature effect on band gap   reza vatan
• [Pw_forum] Temperature effect on band gap   Lorenzo Paulatto
• [Pw_forum] Temperature effect on band gap   reza vatan
• [Pw_forum] Temperature effect on band gap   Lorenzo Paulatto
• [Pw_forum] Temperature effect on band gap   Mostafa Youssef
• [Pw_forum] Temperature effect on band gap   reza vatan
• [Pw_forum] tetragonal lamno3   Jaret Qi
• [Pw_forum] treat of the result of CPMD   张钰栋
• [Pw_forum] Two Fermi energies   Ary Junior
• [Pw_forum] Two Fermi energies   stefano de gironcoli
• [Pw_forum] vc-relax   Alvaro Santos Alves
• [Pw_forum] vc-relax   Bang C. Huynh
• [Pw_forum] vc-relax   Niels Walet
• [Pw_forum] vc-relax   Niels Walet
• [Pw_forum] vc-relax   Sohail Ahmad
• [Pw_forum] vc-relax (not orthogonal operation)   Sohail Ahmad
• [Pw_forum] vc-relax (not orthogonal operation)   Bahadır salmankurt
• [Pw_forum] vc-relax (not orthogonal operation)   Paolo Giannozzi
• [Pw_forum] Version 5.2.1 for the PP program   Holzwarth, Natalie
• [Pw_forum] Version 5.2.1 for the PP program   Paolo Giannozzi
• [Pw_forum] Version 5.2.1 for the PP program   Filippo Spiga
• [Pw_forum] Version 5.2.1 for the PP program   Holzwarth, Natalie
• [Pw_forum] Version 5.2.1 of Quantum ESPRESSO is available for download   Filippo Spiga
• [Pw_forum] why pw.x runs at similar speed using 8 cores or 16 cores   Shaofeng Wang
• [Pw_forum] why pw.x runs at similar speed using 8 cores or 16 cores   Ivan Girotto
• [Pw_forum] wrong representation error in PH   Samuel Poncé

Last message date: Wed Sep 30 18:58:56 CEST 2015
Archived on: Wed Feb 28 11:13:06 CET 2018

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