December 2013 Archives by subject

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Starting: Sun Dec 1 08:12:48 CET 2013
Ending: Tue Dec 31 22:17:33 CET 2013
Messages: 268

• [Pw_forum] 'degauss' & 'smearing'   ehsan targholi
• [Pw_forum] 'degauss' & 'smearing'   stefano de gironcoli
• [Pw_forum] (no subject)   Reza Behjatmanesh-Ardakani
• [Pw_forum] (no subject)   Paolo Giannozzi
• [Pw_forum] (no subject)   Reza Behjatmanesh-Ardakani
• [Pw_forum] (no subject)   Axel Kohlmeyer
• [Pw_forum] (no subject)   Reza Behjatmanesh-Ardakani
• [Pw_forum] (no subject)   Axel Kohlmeyer
• [Pw_forum] (no subject)   Reza Behjatmanesh-Ardakani
• [Pw_forum] (no subject)   Axel Kohlmeyer
• [Pw_forum] (no subject)   Reza Behjatmanesh-Ardakani
• [Pw_forum] (no subject)   Axel Kohlmeyer
• [Pw_forum] (no subject)   Reza Behjatmanesh-Ardakani
• [Pw_forum] (no subject)   Tone Kokalj
• [Pw_forum] (no subject)   Pallavi Bothra
• [Pw_forum] 3D electron bands structure   pourya ir
• [Pw_forum] 6 symmetry operators not found in MgCl2   david Foster
• [Pw_forum] 6 symmetry operators not found in MgCl2   Paolo Giannozzi
• [Pw_forum] 6 symmetry operators not found in MgCl2   Reza Behjatmanesh-Ardakani
• [Pw_forum] 6 symmetry operators not found in MgCl2   david Foster
• [Pw_forum] 6 symmetry operators not found in MgCl2   Paolo Giannozzi
• [Pw_forum] 6 symmetry operators not found in MgCl2   david Foster
• [Pw_forum] 6 symmetry operators not found in MgCl2   Paolo Giannozzi
• [Pw_forum] Anomalously low Born effective charges   Abhishek Mishra
• [Pw_forum] Authenticating the miller indices of two slab surfaces.   Elliot Menkah
• [Pw_forum] band_structure_xmgrace   Partha Pal
• [Pw_forum] band population / smearing parameter   Partha Pal
• [Pw_forum] band population / smearing parameter   Paolo Giannozzi
• [Pw_forum] band population / smearing parameter   Partha Pal
• [Pw_forum] band population / smearing parameter   Paolo Giannozzi
• [Pw_forum] band population / smearing parameter   Partha Pal
• [Pw_forum] band population / smearing parameter   Paolo Giannozzi
• [Pw_forum] Band structure with hybrid functional   Alexandr Fonari
• [Pw_forum] Band structure with hybrid functional   Emine Kucukbenli
• [Pw_forum] Calculating modulated structures with PWscf   Paolo Giannozzi
• [Pw_forum] Calculating thermodynamic properties from vibrational analysis   Chan, Eric
• [Pw_forum] Can not restart a pbe0 calculation   Lesheng Li
• [Pw_forum] Can not restart a pbe0 calculation   Paolo Giannozzi
• [Pw_forum] Can not restart a pbe0 calculation   Lesheng Li
• [Pw_forum] Can not restart a pbe0 calculation   Giuseppe Mattioli
• [Pw_forum] Can not restart a pbe0 calculation   Lesheng Li
• [Pw_forum] convergence is not achieved, please help!!!   ehsan targholi
• [Pw_forum] convergence stops after 100 iterations   manchugh at iitk.ac.in
• [Pw_forum] convergence stops after 100 iterations   Nguyen Chuong
• [Pw_forum] convergence stops after 100 iterations   Nguyen Chuong
• [Pw_forum] convergence stops after 100 iterations   manchugh at iitk.ac.in
• [Pw_forum] convergence stops after 100 iterations   Feng, Zimin
• [Pw_forum] convergence stops after 100 iterations   manchugh at iitk.ac.in
• [Pw_forum] Data from plot or curve   Elliot sarpong Menkah
• [Pw_forum] Data from plot or curve   Julen Larrucea
• [Pw_forum] Data from plot or curve   Elliot Menkah
• [Pw_forum] Data from plot or curve   Julen Larrucea
• [Pw_forum] Data from plot or curve   Paolo Giannozzi
• [Pw_forum] Difference between "bands" and "nscf" calculations   H. Lee
• [Pw_forum] Difference between "bands" and "nscf" calculations   Reza Behjatmanesh-Ardakani
• [Pw_forum] Difference between "bands" and "nscf" calculations   Paolo Giannozzi
• [Pw_forum] Difference between "bands" and "nscf" calculations   H. Lee
• [Pw_forum] Difference between "bands" and "nscf" calculations   Paolo Giannozzi
• [Pw_forum] Does symmetry depend on ecutrho-sec. 5.0.0.20 of the user guide   Jan Gryko
• [Pw_forum] Does symmetry depend on ecutrho?   Jan Gryko
• [Pw_forum] Does symmetry depend on ecutrho?   stefano de gironcoli
• [Pw_forum] Does symmetry depend on ecutrho?   Paolo Giannozzi
• [Pw_forum] DOS   ehsan targholi
• [Pw_forum] DOS   Duy Le
• [Pw_forum] DOS   ehsan targholi
• [Pw_forum] DOS   ehsan targholi
• [Pw_forum] DOS of graphene   ehsan targholi
• [Pw_forum] DOS of graphene   Lorenzo Paulatto
• [Pw_forum] DOS of graphene   Lorenzo Paulatto
• [Pw_forum] DOS of graphene   ehsan targholi
• [Pw_forum] DOS of graphene   Paolo Giannozzi
• [Pw_forum] Empty bands with hybrid functional   Alexandr Fonari
• [Pw_forum] Empty bands with hybrid functional   Paolo Giannozzi
• [Pw_forum] Empty bands with hybrid functional   Alexandr Fonari
• [Pw_forum] equivalent atomic symbols are not found   David Grifith
• [Pw_forum] equivalent atomic symbols are not found   Paolo Giannozzi
• [Pw_forum] equivalent atomic symbols are not found   Alex Granov
• [Pw_forum] equivalent atomic symbols are not found   Lorenzo Paulatto
• [Pw_forum] equivalent atomic symbols are not found   Stefano de Gironcoli
• [Pw_forum] equivalent atomic symbols are not found   Alex Granov
• [Pw_forum] Error in bands.x   Manu Hegde
• [Pw_forum] error in relaxation Fe supercell   david
• [Pw_forum] error in relaxation Fe supercell   david Foster
• [Pw_forum] error in relaxation Fe supercell   Paolo Giannozzi
• [Pw_forum] error in relaxation Fe supercell   david Foster
• [Pw_forum] error in relaxation Fe supercell   Axel Kohlmeyer
• [Pw_forum] error in relaxation Fe supercell   Giuseppe Mattioli
• [Pw_forum] error in relaxation Fe supercell   david Foster
• [Pw_forum] error in relaxation Fe supercell   david Foster
• [Pw_forum] espresso+mpich   raha khalili
• [Pw_forum] espresso+mpich   Axel Kohlmeyer
• [Pw_forum] espresso+mpich   raha khalili
• [Pw_forum] espresso+mpich   Axel Kohlmeyer
• [Pw_forum] espresso+openmpi   raha khalili
• [Pw_forum] espresso+openmpi   A Keshtkar
• [Pw_forum] espresso+openmpi   raha khalili
• [Pw_forum] espresso+openmpi   A Keshtkar
• [Pw_forum] espresso+openmpi   raha khalili
• [Pw_forum] espresso+openmpi   Giuseppe Mattioli
• [Pw_forum] espresso+openmpi   Mohsen Modaresi
• [Pw_forum] espresso+openmpi   raha khalili
• [Pw_forum] espresso+openmpi   Giuseppe Mattioli
• [Pw_forum] Extracting the electronic wavefunction and the Bloch function   koushik pal
• [Pw_forum] fc file   Alex Granov
• [Pw_forum] fc file   Bramha Pandey
• [Pw_forum] fc file   Paolo Giannozzi
• [Pw_forum] fermi energy   david foster
• [Pw_forum] fermi energy   david
• [Pw_forum] fermi energy   Giuseppe Mattioli
• [Pw_forum] fermi energy   david
• [Pw_forum] Fwd: Error in executing projwfc.x   Manu Hegde
• [Pw_forum] Fwd: Error in executing projwfc.x   Paolo Giannozzi
• [Pw_forum] Fwd: Error in executing projwfc.x   Manu Hegde
• [Pw_forum] Fwd: Error in executing projwfc.x   Giuseppe Mattioli
• [Pw_forum] Fwd: Error in executing projwfc.x   Lucian Filip
• [Pw_forum] Fwd: Error in executing projwfc.x   Manu Hegde
• [Pw_forum] Fwd: Error in executing projwfc.x   Lucian Filip
• [Pw_forum] Fwd: Error in executing projwfc.x   Manu Hegde
• [Pw_forum] Fwd: Error in executing projwfc.x   Lucian Filip
• [Pw_forum] Fwd: Error in executing projwfc.x   Manu Hegde
• [Pw_forum] Fwd: problem with LDA-0.5   Patriot Pershing
• [Pw_forum] Fwd: problem with LDA-0.5   Paolo Giannozzi
• [Pw_forum] Generation of fractional co-ordinates in PWSCF   Yedu Kondalu
• [Pw_forum] Getting error   Manu Hegde
• [Pw_forum] Getting error   Paolo Giannozzi
• [Pw_forum] Getting error   Manu Hegde
• [Pw_forum] Getting error   Giovanni Pizzi
• [Pw_forum] Getting error   Manu Hegde
• [Pw_forum] Getting error   Manu Hegde
• [Pw_forum] Getting error   stefano de gironcoli
• [Pw_forum] Getting error   Manu Hegde
• [Pw_forum] Getting error   Paolo Giannozzi
• [Pw_forum] Graphene 3D electron dispersion relation. Please help!   pourya ir
• [Pw_forum] How to change temperature monotonously ?   Bohdan Andriyevskyy
• [Pw_forum] How to change the electronic field direction   Cao TF
• [Pw_forum] How to change the electronic field direction   Nguyen Chuong
• [Pw_forum] How to change the electronic field direction   Lorenzo Paulatto
• [Pw_forum] How to distinguish phonon modes?   Kyeong-hyun Park
• [Pw_forum] How to distinguish phonon modes?   Kyeong-hyun Park
• [Pw_forum] How to distinguish phonon modes?   Peram sreenivasa reddy
• [Pw_forum] How to distinguish phonon modes?   Lorenzo Paulatto
• [Pw_forum] How to obtain partial phonon DOS   Chukwuemeka Okoye
• [Pw_forum] How to obtain partial phonon DOS   Lorenzo Paulatto
• [Pw_forum] internal error, cannot bracket Ef   Manu Hegde
• [Pw_forum] internal error, cannot bracket Ef   Paolo Giannozzi
• [Pw_forum] internal error, cannot bracket Ef   Manu Hegde
• [Pw_forum] internal error, cannot bracket Ef   Manu Hegde
• [Pw_forum] k-points   raha khalili
• [Pw_forum] k-points   Ari P Seitsonen
• [Pw_forum] k-points   raha khalili
• [Pw_forum] k-resolveddos   Sakhrawi Taoufek
• [Pw_forum] K points: phonon dispersion   ramzi alaya
• [Pw_forum] K points: phonon dispersion   xirainbow
• [Pw_forum] Lattice Parameter of Nickel   Elliot sarpong Menkah
• [Pw_forum] Lattice Parameter too low from experimentally determined. (3.42 ~ 3.52)   Elliot Menkah
• [Pw_forum] Lattice Parameter too low from experimentally determined. (3.42 ~ 3.52)   Bramha Pandey
• [Pw_forum] Negative frequencies from ph.x   Jan Gryko
• [Pw_forum] Negative frequencies from ph.x   Paolo Giannozzi
• [Pw_forum] no subject   Masoud Nahali
• [Pw_forum] no subject   stefano de gironcoli
• [Pw_forum] nstep parameter for geometry optimization   Jan Gryko
• [Pw_forum] Obtaining the Workfunction of Al100   Omamuyovwi Akemu
• [Pw_forum] Obtaining the Workfunction of Al100   Hadi Arefi
• [Pw_forum] Obtaining the Workfunction of Al100   Omamuyovwi Akemu
• [Pw_forum] Order of Total Energy in SCF calculations   Manu Hegde
• [Pw_forum] Order of Total Energy in SCF calculations   Lorenzo Paulatto
• [Pw_forum] Order of Total Energy in SCF calculations   Paolo Giannozzi
• [Pw_forum] Order of Total Energy in SCF calculations   Manu Hegde
• [Pw_forum] Order of Total Energy in SCF calculations   Giovanni Pizzi
• [Pw_forum] Order of Total Energy in SCF calculations   Manu Hegde
• [Pw_forum] Order of Total Energy in SCF calculations   Lorenzo Paulatto
• [Pw_forum] Order of Total Energy in SCF calculations   Manu Hegde
• [Pw_forum] Order of Total Energy in SCF calculations   Tone Kokalj
• [Pw_forum] Orienting Nickel 111-P(3x3) slab surface   Elliot Menkah
• [Pw_forum] Orienting Nickel 111-P(3x3) slab surface   Ari P Seitsonen
• [Pw_forum] Orienting Nickel 111-P(3x3) slab surface   Elliot Menkah
• [Pw_forum] Orienting Nickel 111-P(3x3) slab surface   Ari P Seitsonen
• [Pw_forum] parallel version   ehsan targholi
• [Pw_forum] parallel version   Axel Kohlmeyer
• [Pw_forum] parallel version   Paolo Giannozzi
• [Pw_forum] parallel version   ehsan targholi
• [Pw_forum] parallel version   ehsan targholi
• [Pw_forum] parallel version   Axel Kohlmeyer
• [Pw_forum] PBC problems   毛飞
• [Pw_forum] PBC problems   Julen Larrucea
• [Pw_forum] PBC problems   毛飞
• [Pw_forum] PBC problems   Julen Larrucea
• [Pw_forum] phonon calculations with vdw functionals   Jun Dai
• [Pw_forum] Phonon dispersion with LO-TO splitting in teragonal system   Kondaiah Samudrala
• [Pw_forum] plot_2d in bands.x   Leonardo Matheus
• [Pw_forum] polarization   Halima Zaari
• [Pw_forum] problem with layer dos   Halima Zaari
• [Pw_forum] problem with layer dos   Giuseppe Mattioli
• [Pw_forum] problem with LDA-0.5   Patriot Pershing
• [Pw_forum] Problem with QE 4.2.1 and AMD Opteron 6200 / 6300   Fabricio Cannini
• [Pw_forum] Problem with QE 4.2.1 and AMD Opteron 6200 / 6300   Paolo Giannozzi
• [Pw_forum] Problem with QE 4.2.1 and AMD Opteron 6200 / 6300   Fabricio Cannini
• [Pw_forum] Problem with QE 4.2.1 and AMD Opteron 6200 / 6300   Paolo Giannozzi
• [Pw_forum] Problem with QE 4.2.1 and AMD Opteron 6200 / 6300   Fabricio Cannini
• [Pw_forum] Problem with QE 4.2.1 and AMD Opteron 6200 / 6300   Fabricio Cannini
• [Pw_forum] Problem with QE 4.2.1 and AMD Opteron 6200 / 6300   Ivan Girotto
• [Pw_forum] Problem with QE 4.2.1 and AMD Opteron 6200 / 6300   Fabricio Cannini
• [Pw_forum] Problem with QE 4.2.1 and AMD Opteron 6200 / 6300   Fabricio Cannini
• [Pw_forum] problem with the geometry optimization of cp.x   Alex
• [Pw_forum] Program received signal SIGSEGV: Segmentation fault - invalid memory reference.   yelena
• [Pw_forum] Program received signal SIGSEGV: Segmentation fault - invalid memory reference.   yelena
• [Pw_forum] Program received signal SIGSEGV: Segmentation fault - invalid memory reference.   Paolo Giannozzi
• [Pw_forum] Program received signal SIGSEGV: Segmentation fault - invalid memory reference.   yelena
• [Pw_forum] Psi-k/CECAM International workshop on computational physics and materials science, EPFL, Jan 9-11 2014   Nicola Marzari
• [Pw_forum] PW relax cannot move atoms   Li, Run
• [Pw_forum] PW relax cannot move atoms   Reza Behjatmanesh-Ardakani
• [Pw_forum] QE 5.0.2 compile problem and MKL problem   Yue-Wen Fang
• [Pw_forum] QE 5.0.2 compile problem and MKL problem   Giovanni Cantele
• [Pw_forum] QE 5.0.2 compile problem and MKL problem   Masoud Nahali
• [Pw_forum] QE 5.0.2 compile problem and MKL problem   Michael Sullivan (IHPC)
• [Pw_forum] QE 5.0.2 compile problem and MKL problem   Axel Kohlmeyer
• [Pw_forum] QE 5.0.2 compile problem and MKL problem   Giuseppe Mattioli
• [Pw_forum] QE 5.0.2 compile problem and MKL problem   Yue-Wen Fang
• [Pw_forum] QE 5.0.2 compile problem and MKL problem   Yue-Wen Fang
• [Pw_forum] QE 5.0.2 compile problem and MKL problem   Axel Kohlmeyer
• [Pw_forum] Quantum Espresso on Xeon Phi   Paul.Caheny at uk.fujitsu.com
• [Pw_forum] R: Re: vdW+PBE0   DELLACA' Valentina (CRF)
• [Pw_forum] RE : High spin & Low spin Magnetic calculation set up   paresh rout
• [Pw_forum] RE : Lattice Parameter too low from experimentally determined. (3.42 ~ 3.52)   BARRETEAU Cyrille
• [Pw_forum] RE : Lattice Parameter too low from experimentally determined. (3.42 ~ 3.52)   Elliot Menkah
• [Pw_forum] RE : Lattice Parameter too low from experimentally determined. (3.42 ~ 3.52)   Paolo Giannozzi
• [Pw_forum] RE : Lattice Parameter too low from experimentally determined. (3.42 ~ 3.52)   Elliot Menkah
• [Pw_forum] RE : RE : High spin & Low spin Magnetic calculation set up   BARRETEAU Cyrille
• [Pw_forum] Regarding Kpoint and qpoint grids   Kondaiah Samudrala
• [Pw_forum] Regarding Van der waals corrections for Xe   Kondaiah Samudrala
• [Pw_forum] Regarding Van der waals corrections for Xe   Paolo Giannozzi
• [Pw_forum] Running jobs with Script on a cluster   Elliot Menkah
• [Pw_forum] Running jobs with Script on a cluster   Masoud Nahali
• [Pw_forum] Running jobs with Script on a cluster   Elliot Menkah
• [Pw_forum] smearing convergence   Manoj Narayanan
• [Pw_forum] smearing convergence   Manu Hegde
• [Pw_forum] smearing convergence   Manoj Narayanan
• [Pw_forum] smearing convergence   Manu Hegde
• [Pw_forum] smearing convergence   Nicola Marzari
• [Pw_forum] symmetry effects on final energy   Reza Behjatmanesh-Ardakani
• [Pw_forum] symmetry of Fe supercell   Reza Behjatmanesh-Ardakani
• [Pw_forum] symmetry of Fe supercell   Reza Behjatmanesh-Ardakani
• [Pw_forum] Thermodynamic properties   Alex Granov
• [Pw_forum] Thermodynamic properties   Iyad AL-QASIR
• [Pw_forum] Thermodynamic properties   Alex Granov
• [Pw_forum] Thermodynamic properties   Iyad AL-QASIR
• [Pw_forum] total charge   Halima Zaari
• [Pw_forum] total charge   Axel Kohlmeyer
• [Pw_forum] Trouble installing PP package for Quantum-Espresso 5.0   Zhongnan Xu
• [Pw_forum] Trouble installing PP package for Quantum-Espresso 5.0   Paolo Giannozzi
• [Pw_forum] Trouble installing PP package for Quantum-Espresso 5.0   Zhongnan Xu
• [Pw_forum] Trouble installing PP package for Quantum-Espresso 5.0   Zhongnan Xu
• [Pw_forum] Units of the forces output by PWscf   Roberto G. A. Veiga
• [Pw_forum] Units of the forces output by PWscf   Manu Hegde
• [Pw_forum] Units of the forces output by PWscf   Andrei Malashevich
• [Pw_forum] vdW+PBE0   DELLACA' Valentina (CRF)
• [Pw_forum] vdW+PBE0   Paolo Giannozzi
• [Pw_forum] vdW+PBE0   Masoud Nahali
• [Pw_forum] vdW+PBE0   Giuseppe Mattioli
• [Pw_forum] vdW+PBE0   DELLACA' Valentina (CRF)
• [Pw_forum] vdW+PBE0   DELLACA' Valentina (CRF)
• [Pw_forum] vdW functional not implemented for spin polarized runs   Martin Gmitra
• [Pw_forum] vdW functional not implemented for spin polarized runs   Nguyen Chuong
• [Pw_forum] Visualzing Atomic Orbitals   Manu Hegde
• [Pw_forum] Wannier90 for DMFT   mourad boujnah
• [Pw_forum] Wannier90 for DMFT   Ari P Seitsonen
• [Pw_forum] Wannier90 for DMFT   mourad boujnah
• [Pw_forum] Wrong phonon frequencies when using nosym=false   Tao Sun

Last message date: Tue Dec 31 22:17:33 CET 2013
Archived on: Wed Feb 28 11:11:02 CET 2018

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