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Messages by Date

• 2011/07/26 [Pw_forum] ph.x segmentation fault [email protected]
• 2011/07/26 [Pw_forum] How to convince QE from local lapack/blas? Michael Sullivan
• 2011/07/26 [Pw_forum] phcg.x segmentation fault Guntram Schmidt
• 2011/07/26 [Pw_forum] phcg.x segmentation fault Guntram Schmidt
• 2011/07/26 [Pw_forum] How to convince QE from local lapack/blas? Guntram Schmidt
• 2011/07/26 [Pw_forum] (no subject) Vi Vo
• 2011/07/26 [Pw_forum] antiferromagnetism in thin films Giuseppe Mattioli
• 2011/07/26 [Pw_forum] Segmentation fault on relaxed structure in vc-relax on QE4.3.1 Marino Vetuschi Zuccolini
• 2011/07/26 [Pw_forum] antiferromagnetism in thin films mohnish pandey
• 2011/07/26 [Pw_forum] ibrav and celldm(4) Giuseppe Mattioli
• 2011/07/26 [Pw_forum] occupancy of the state from PDOS calculation Gabriele Sclauzero
• 2011/07/26 [Pw_forum] ibrav and celldm(4) Abolore Musari
• 2011/07/26 [Pw_forum] Pw_forum Digest, Vol 49, Issue 68 zafar rasheed
• 2011/07/26 [Pw_forum] (no subject) Lorenzo Paulatto
• 2011/07/26 [Pw_forum] (no subject) Lorenzo Paulatto
• 2011/07/26 [Pw_forum] (no subject) bhabya sahoo
• 2011/07/25 [Pw_forum] (no subject) bhabya sahoo
• 2011/07/25 [Pw_forum] (no subject) Vi Vo
• 2011/07/25 [Pw_forum] occupancy of the state from PDOS calculation Tram Bui
• 2011/07/25 [Pw_forum] Warnings And Errors in Compilation of QHA...... GAO Zhe
• 2011/07/25 [Pw_forum] Warnings And Errors in Compilation of QHA...... zafar rasheed
• 2011/07/25 [Pw_forum] PHONON error with trans=.false. and elph=.true. GAO Zhe
• 2011/07/25 [Pw_forum] PHONON error with elph=.true. and trans=.false. Jeonghun Yun
• 2011/07/24 [Pw_forum] PHONON error with trans=.false. and elph=.true. 윤정훈
• 2011/07/24 [Pw_forum] Nature of antiferomagnetism in thin films mohnish pandey
• 2011/07/24 [Pw_forum] Can pwscf do the Superconductivity study? Hongsheng Zhao
• 2011/07/23 [Pw_forum] How to convince QE from local lapack/blas? Paolo Giannozzi
• 2011/07/23 [Pw_forum] problem with creating the pseudopotential of Zn GAO Zhe
• 2011/07/23 [Pw_forum] problem with creating the pseudopotential of Zn Lorenzo Paulatto
• 2011/07/23 [Pw_forum] problem with creating the pseudopotential of Zn Stefano Baroni
• 2011/07/23 [Pw_forum] problem with creating the pseudopotential of Zn Robin H
• 2011/07/22 [Pw_forum] How to convince QE from local lapack/blas? Lorenzo Paulatto
• 2011/07/22 [Pw_forum] How to convince QE from local lapack/blas? Guntram Schmidt
• 2011/07/22 [Pw_forum] My vague understanding of internal degrees of freedom Hongsheng Zhao
• 2011/07/22 [Pw_forum] How to convince QE from local lapack/blas? [email protected]
• 2011/07/22 [Pw_forum] "xspectra.x" crashed with segmentation fault [email protected]
• 2011/07/22 [Pw_forum] How to convince QE from local lapack/blas? Guntram Schmidt
• 2011/07/22 [Pw_forum] My vague understanding of internal degrees of freedom RCP
• 2011/07/22 [Pw_forum] problem in calculating the binding energies with pwscf Jörg Buchwald
• 2011/07/22 [Pw_forum] PBE Hybrid funcitonals and LDA pseudopotentials Gabriel Greene
• 2011/07/22 [Pw_forum] "xspectra.x" crashed with segmentation fault Abdulrafiu Raji
• 2011/07/22 [Pw_forum] Wrong niter_ph (error in ph.x run) Eyvaz Isaev
• 2011/07/22 [Pw_forum] Wrong niter_ph (error in ph.x run) Seyed Mojtaba Rezaei Sani
• 2011/07/22 [Pw_forum] PBE Hybrid funcitonals and LDA pseudopotentials [email protected]
• 2011/07/22 [Pw_forum] My vague understanding of internal degrees of freedom Hongsheng Zhao
• 2011/07/22 [Pw_forum] Wrong niter_ph (error in ph.x run) Lorenzo Paulatto
• 2011/07/22 [Pw_forum] Wrong niter_ph (error in ph.x run) Seyed Mojtaba Rezaei Sani
• 2011/07/22 [Pw_forum] My vague understanding of internal degrees of freedom xiaochuan Ge
• 2011/07/21 [Pw_forum] My vague understanding of internal degrees of freedom. Hongsheng Zhao
• 2011/07/21 [Pw_forum] problem in calculating the binding energies with pwscf Hongsheng Zhao
• 2011/07/21 [Pw_forum] problem in calculating the binding energies with pwscf [email protected]
• 2011/07/21 [Pw_forum] problem in calculating the binding energies with pwscf Giuseppe Mattioli
• 2011/07/21 [Pw_forum] How to convince QE from local lapack/blas? [email protected]
• 2011/07/21 [Pw_forum] Welcome to the "Pw_forum" mailing list (Digest mode) Winfred Mulwa
• 2011/07/21 [Pw_forum] problem in calculating the binding energies with pwscf Jörg Buchwald
• 2011/07/21 [Pw_forum] Pressure-induced phase transition Eric Germaneau
• 2011/07/21 [Pw_forum] How to convince QE from local lapack/blas? Michael Sullivan
• 2011/07/21 [Pw_forum] How to convince QE from local lapack/blas? Guntram Schmidt
• 2011/07/21 [Pw_forum] ph.x cannot reach convergence within 100 steps Eyvaz Isaev
• 2011/07/20 [Pw_forum] ph.x cannot reach convergence within 100 steps GAO Zhe
• 2011/07/20 [Pw_forum] more k-points Wilfredo Ibarra Hernández
• 2011/07/20 [Pw_forum] Pw_forum Digest, Vol 49, Issue 53 Paolo Giannozzi
• 2011/07/20 [Pw_forum] more k-points Paolo Giannozzi
• 2011/07/20 [Pw_forum] more k-points Wilfredo Ibarra Hernández
• 2011/07/20 [Pw_forum] Pw_forum Digest, Vol 49, Issue 53 Abdulrafiu Raji
• 2011/07/20 [Pw_forum] QHA and monoclinic/orthorhombic structures Eyvaz Isaev
• 2011/07/20 [Pw_forum] Pressure-induced phase transition Eric Germaneau
• 2011/07/20 [Pw_forum] QHA and monoclinic/orthorhombic structures [email protected]
• 2011/07/20 [Pw_forum] QHA and monoclinic/orthorhombic structures Guntram Schmidt
• 2011/07/20 [Pw_forum] Restarting a NEB Calculation Giuseppe Mattioli
• 2011/07/20 [Pw_forum] Pressure-induced phase transition Eric Germaneau
• 2011/07/20 [Pw_forum] Pressure-induced phase transition Eric Germaneau
• 2011/07/20 [Pw_forum] Pressure-induced phase transition Eric Germaneau
• 2011/07/20 [Pw_forum] Problem with NEB.x in QE-4.3 WANG Wei
• 2011/07/19 [Pw_forum] Pressure-induced phase transition Paolo Giannozzi
• 2011/07/19 [Pw_forum] compiling upftools meet error with pgi7.0 Paolo Giannozzi
• 2011/07/19 [Pw_forum] Restarting a NEB Calculation (Vic Bermudez) [email protected]
• 2011/07/19 [Pw_forum] compiling upftools meet error with pgi7.0 jinxi
• 2011/07/19 [Pw_forum] Pressure-induced phase transition Hongsheng Zhao
• 2011/07/19 [Pw_forum] Problem with XSPECTRA: file can't open Paolo Giannozzi
• 2011/07/19 [Pw_forum] Problem with XSPECTRA: file can't open Abdulrafiu Raji
• 2011/07/19 [Pw_forum] Pressure-induced phase transition pascal boulet
• 2011/07/19 [Pw_forum] Pressure-induced phase transition Eric Germaneau
• 2011/07/19 [Pw_forum] PBE Hybrid funcitonals and LDA pseudopotentials Gabriel Greene
• 2011/07/19 [Pw_forum] Pressure-induced phase transition Eric Germaneau
• 2011/07/19 [Pw_forum] Restarting a NEB Calculation Vic Bermudez
• 2011/07/19 [Pw_forum] The issue confused me when calculating the elastic constants. Hongsheng Zhao
• 2011/07/19 [Pw_forum] Pressure-induced phase transition Hongsheng Zhao
• 2011/07/18 [Pw_forum] Opening .xml files on linux Gabriele Sclauzero
• 2011/07/18 [Pw_forum] Pressure-induced phase transition Hongsheng Zhao
• 2011/07/18 [Pw_forum] Pressure-induced phase transition Amin Torabi
• 2011/07/18 [Pw_forum] Pressure-induced phase transition Hongsheng Zhao
• 2011/07/18 [Pw_forum] Pressure-induced phase transition Eric Germaneau
• 2011/07/18 [Pw_forum] Pressure-induced phase transition Hongsheng Zhao
• 2011/07/18 [Pw_forum] Pressure-induced phase transition Hongsheng Zhao
• 2011/07/18 [Pw_forum] Pressure-induced phase transition Hongsheng Zhao
• 2011/07/18 [Pw_forum] Pressure-induced phase transition Hongsheng Zhao
• 2011/07/18 [Pw_forum] Opening .xml files on linux Izaak Williamson
• 2011/07/18 [Pw_forum] Pressure-induced phase transition Amin Torabi
• 2011/07/18 [Pw_forum] Pressure-induced phase transition Hongsheng Zhao
• 2011/07/18 [Pw_forum] Opening .xml files on linux Gabriele Sclauzero
• 2011/07/18 [Pw_forum] Pressure-induced phase transition Hongsheng Zhao
• 2011/07/17 [Pw_forum] Problem with NEB.x in QE-4.3 Paolo Giannozzi
• 2011/07/17 [Pw_forum] Problem with NEB.x in QE-4.3 Layla Martin-Samos
• 2011/07/17 [Pw_forum] Input file for MgB2C2. Huiqun Zhou
• 2011/07/17 [Pw_forum] Problem with NEB.x in QE-4.3 WANG Wei
• 2011/07/17 [Pw_forum] Pressure-induced phase transition Amin Torabi
• 2011/07/17 [Pw_forum] Input file for MgB2C2. Hongsheng Zhao
• 2011/07/17 [Pw_forum] Input file for MgB2C2. GAO Zhe
• 2011/07/17 [Pw_forum] Input file for MgB2C2. Eyvaz Isaev
• 2011/07/17 [Pw_forum] Input file for MgB2C2. Hongsheng Zhao
• 2011/07/17 [Pw_forum] ph.x cannot reach convergence within 100 steps Eyvaz Isaev
• 2011/07/17 [Pw_forum] can pwscf calculate temperature dependence of the vibrational contribution to the free energy? GAO Zhe
• 2011/07/17 [Pw_forum] ph.x cannot reach convergence within 100 steps GAO Zhe
• 2011/07/17 [Pw_forum] Request for gfortran4.3 GAO Zhe
• 2011/07/16 [Pw_forum] Request for gfortran4.3 zafar rasheed
• 2011/07/16 [Pw_forum] Input file for MgB2C2. Eyvaz Isaev
• 2011/07/16 [Pw_forum] Input file for MgB2C2. Hongsheng Zhao
• 2011/07/16 [Pw_forum] can pwscf calculate temperature dependence of the vibrational contribution to the free energy? Eyvaz Isaev
• 2011/07/16 [Pw_forum] can pwscf calculate temperature dependence of the vibrational contribution to the free energy? bamidele ibrahim
• 2011/07/16 [Pw_forum] ph.x cannot reach convergence within 100 steps Eyvaz Isaev
• 2011/07/15 [Pw_forum] simple question about plotband.x Mehrnoosh Hazrati
• 2011/07/15 [Pw_forum] ph.x cannot reach convergence within 100 steps GAO Zhe
• 2011/07/15 [Pw_forum] bravais lattice of Cmca Sandro Scandolo
• 2011/07/15 [Pw_forum] how to extract data from phonon calculation to plot phonon frequency dispersion curve bamidele ibrahim
• 2011/07/15 [Pw_forum] simple question about plotband.x Eric Germaneau
• 2011/07/15 [Pw_forum] phonon_dos.x not created........ Guntram Schmidt
• 2011/07/14 [Pw_forum] Why dielectric function of only interband contribution has the features of intraband? Eduardo Ariel Menendez Proupin
• 2011/07/14 [Pw_forum] Pw_forum Digest, Vol 49, Issue 33 Eduardo Ariel Menendez Proupin
• 2011/07/14 [Pw_forum] simple question about plotband.x Elie Moujaes
• 2011/07/14 [Pw_forum] Pressure-induced phase transition Amin Torabi
• 2011/07/14 [Pw_forum] QE installation probelm in linux PC (Red hat EL) Paolo Giannozzi
• 2011/07/14 [Pw_forum] Confusion in choosing rlderiv Paolo Giannozzi
• 2011/07/14 [Pw_forum] Using the outdir from vc-relax Giuseppe Mattioli
• 2011/07/14 [Pw_forum] projected wavefunction mashiat alaaii
• 2011/07/14 [Pw_forum] how to extract data from phonon calculation to plot phonon frequency dispersion curve Eyvaz Isaev
• 2011/07/14 [Pw_forum] Back to the forum Eyvaz Isaev
• 2011/07/14 [Pw_forum] how to extract data from phonon calculation to plot phonon frequency dispersion curve bamidele ibrahim
• 2011/07/14 [Pw_forum] QE installation probelm in linux PC (Red hat EL) GAO Zhe
• 2011/07/14 [Pw_forum] QE installation probelm in linux PC (Red hat EL) Raji
• 2011/07/13 [Pw_forum] phonon_dos.x not created........ GAO Zhe
• 2011/07/13 [Pw_forum] assistance with QHA GAO Zhe
• 2011/07/13 [Pw_forum] from matdyn : error # 49 GAO Zhe
• 2011/07/13 [Pw_forum] charged defects Stefano de Gironcoli
• 2011/07/13 [Pw_forum] charged defects Tram Bui
• 2011/07/13 [Pw_forum] Using the outdir from vc-relax Izaak Williamson
• 2011/07/13 [Pw_forum] from matdyn : error # 49 Guntram Schmidt
• 2011/07/13 [Pw_forum] assistance with QHA Guntram Schmidt
• 2011/07/13 [Pw_forum] phonon_dos.x not created........ Guntram Schmidt
• 2011/07/13 [Pw_forum] phonon_dos.x not created........ zafar rasheed
• 2011/07/13 [Pw_forum] Using the outdir from vc-relax Giuseppe Mattioli
• 2011/07/13 [Pw_forum] What occupation should be used Giuseppe Mattioli
• 2011/07/12 [Pw_forum] Confusion in choosing rlderiv karan deep
• 2011/07/12 [Pw_forum] bravais lattice of Cmca [email protected]
• 2011/07/12 [Pw_forum] Using the outdir from vc-relax Izaak Williamson
• 2011/07/12 [Pw_forum] What occupation should be used Izaak Williamson
• 2011/07/12 [Pw_forum] assistance with QHA mohsen modaresi
• 2011/07/12 [Pw_forum] assistance with QHA Guntram Schmidt
• 2011/07/12 [Pw_forum] Opening .xml files on linux Izaak Williamson
• 2011/07/12 [Pw_forum] Why dielectric function of only interband contribution has the features of intraband? gbliu
• 2011/07/11 [Pw_forum] draw a ELF diagram using XCrysDen (Mahdi Faqieh nasiri) Stefano Baroni
• 2011/07/11 [Pw_forum] draw a ELF diagram using XCrysDen (Mahdi Faqieh nasiri) [email protected]
• 2011/07/11 [Pw_forum] What's wrong in my calculation of epsilon of fcc Au? gbliu
• 2011/07/11 [Pw_forum] What's wrong in my calculation of epsilon of fcc Au? gbliu
• 2011/07/11 [Pw_forum] São Paulo ICTP/TWAS Advanced School on Computational Materials Science Sandro Scandolo
• 2011/07/11 [Pw_forum] What's wrong in my calculation of epsilon of fcc Au? Tao Sun
• 2011/07/11 [Pw_forum] What's wrong in my calculation of epsilon of fcc Au? Tao Sun
• 2011/07/11 [Pw_forum] Charge Density Mehrnoosh Hazrati
• 2011/07/11 [Pw_forum] draw a ELF diagram using XCrysDen Mahdi Faqieh nasiri
• 2011/07/11 [Pw_forum] problem with symmetry recognition Paolo Giannozzi
• 2011/07/11 [Pw_forum] What's wrong in my calculation of epsilon of fcc Au? gbliu
• 2011/07/11 [Pw_forum] problem with symmetry recognition Giuseppe Mattioli
• 2011/07/11 [Pw_forum] Vc-relax error with option cell_dofree mayank gupta
• 2011/07/10 [Pw_forum] "relax" vs. "vc-relax" calculation Masoud Nahali
• 2011/07/10 [Pw_forum] draw a ELF diagram using XCrysDen (Mahdi Faqieh nasiri) [email protected]
• 2011/07/10 [Pw_forum] draw a ELF diagram using XCrysDen Mahdi Faqieh nasiri
• 2011/07/10 [Pw_forum] "relax" vs. "vc-relax" calculation Tram Bui
• 2011/07/10 [Pw_forum] problem with symmetry recognition Stefano de Gironcoli
• 2011/07/10 [Pw_forum] problem with symmetry recognition Stefano de Gironcoli
• 2011/07/10 [Pw_forum] problem with symmetry recognition [email protected]
• 2011/07/10 [Pw_forum] What's wrong in my calculation of epsilon of fcc Au? Tao Sun
• 2011/07/10 [Pw_forum] What's wrong in my calculation of epsilon of fcc Au? gbliu
• 2011/07/10 [Pw_forum] What's wrong in my calculation of epsilon of fcc Au? Tao Sun
• 2011/07/10 [Pw_forum] XX and YY component in stress matrix are not same for body centred tetragonal structure mayank gupta
• 2011/07/10 [Pw_forum] I need norm conserving pseudopotetial for Zinc that can work with pwscf gbliu
• 2011/07/10 [Pw_forum] What's wrong in my calculation of epsilon of fcc Au? gbliu
• 2011/07/10 [Pw_forum] I need norm conserving pseudopotetial for Zinc that can work with pwscf bamidele ibrahim
• 2011/07/10 [Pw_forum] problem with symmetry recognition Paolo Giannozzi
• 2011/07/10 [Pw_forum] problem with symmetry recognition pascal boulet
• 2011/07/10 [Pw_forum] dE0s is positive which should never happen Paolo Giannozzi
• 2011/07/09 [Pw_forum] reading atomic position in *.save Vi Vo
• 2011/07/09 [Pw_forum] On the doping modeling: how to determine all of the non-equivalent doping configurations? Hongsheng Zhao
• 2011/07/09 [Pw_forum] problem with symmetry recognition [email protected]
• 2011/07/09 [Pw_forum] problem with symmetry recognition Stefano de Gironcoli
• 2011/07/09 [Pw_forum] problem with symmetry recognition Vic Bermudez
• 2011/07/09 [Pw_forum] problem with symmetry recognition pascal boulet
• 2011/07/09 [Pw_forum] I need norm conserving pseudopotetial for Zinc that can work with pwscf gbliu
• 2011/07/09 [Pw_forum] dE0s is positive which should never happen Guntram Schmidt
• 2011/07/09 [Pw_forum] dE0s is positive which should never happen Guntram Schmidt
• 2011/07/09 [Pw_forum] reading atomic position in *.save Paolo Giannozzi

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