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• [Pw_forum] Problem with NEB.x in QE-4.3 WANG Wei
  • [Pw_forum] Problem with NEB.x in QE-4.3 Layla Martin-Samos
  • [Pw_forum] Problem with NEB.x in QE-4.3 Paolo Giannozzi
  • [Pw_forum] Problem with NEB.x in QE-4.3 WANG Wei
• [Pw_forum] Request for gfortran4.3 zafar rasheed
  • [Pw_forum] Request for gfortran4.3 GAO Zhe
• [Pw_forum] Input file for MgB2C2. Hongsheng Zhao
  • [Pw_forum] Input file for MgB2C2. Eyvaz Isaev
  • [Pw_forum] Input file for MgB2C2. Hongsheng Zhao
  • [Pw_forum] Input file for MgB2C2. Eyvaz Isaev
  • [Pw_forum] Input file for MgB2C2. Huiqun Zhou
  • [Pw_forum] Input file for MgB2C2. GAO Zhe
  • [Pw_forum] Input file for MgB2C2. Hongsheng Zhao
• [Pw_forum] can pwscf calculate temperature dependence of the vibrational contribution to the free energy? bamidele ibrahim
  • [Pw_forum] can pwscf calculate temperature dependence of the vibrational contribution to the free energy? Eyvaz Isaev
  • [Pw_forum] can pwscf calculate temperature dependence of the vibrational contribution to the free energy? GAO Zhe
• [Pw_forum] ph.x cannot reach convergence within 100 steps GAO Zhe
  • [Pw_forum] ph.x cannot reach convergence within 100 steps Eyvaz Isaev
  • [Pw_forum] ph.x cannot reach convergence within 100 steps GAO Zhe
  • [Pw_forum] ph.x cannot reach convergence within 100 steps Eyvaz Isaev
  • [Pw_forum] ph.x cannot reach convergence within 100 steps GAO Zhe
  • [Pw_forum] ph.x cannot reach convergence within 100 steps Eyvaz Isaev
• [Pw_forum] Why dielectric function of only interband contribution has the features of intraband? Eduardo Ariel Menendez Proupin
• [Pw_forum] Pw_forum Digest, Vol 49, Issue 33 Eduardo Ariel Menendez Proupin
• [Pw_forum] simple question about plotband.x Elie Moujaes
  • [Pw_forum] simple question about plotband.x Mehrnoosh Hazrati
  • [Pw_forum] simple question about plotband.x Eric Germaneau
• [Pw_forum] Pressure-induced phase transition Amin Torabi
  • [Pw_forum] Pressure-induced phase transition Amin Torabi
  • [Pw_forum] Pressure-induced phase transition Hongsheng Zhao
  • [Pw_forum] Pressure-induced phase transition Amin Torabi
  • [Pw_forum] Pressure-induced phase transition Hongsheng Zhao
  • [Pw_forum] Pressure-induced phase transition Hongsheng Zhao
  • [Pw_forum] Pressure-induced phase transition Hongsheng Zhao
  • [Pw_forum] Pressure-induced phase transition Hongsheng Zhao
  • [Pw_forum] Pressure-induced phase transition Eric Germaneau
  • [Pw_forum] Pressure-induced phase transition Hongsheng Zhao
  • [Pw_forum] Pressure-induced phase transition Eric Germaneau
  • [Pw_forum] Pressure-induced phase transition Eric Germaneau
  • [Pw_forum] Pressure-induced phase transition Hongsheng Zhao
  • [Pw_forum] Pressure-induced phase transition Eric Germaneau
  • [Pw_forum] Pressure-induced phase transition Hongsheng Zhao
  • [Pw_forum] Pressure-induced phase transition Amin Torabi
  • [Pw_forum] Pressure-induced phase transition Hongsheng Zhao
  • [Pw_forum] Pressure-induced phase transition Eric Germaneau
  • [Pw_forum] Pressure-induced phase transition Hongsheng Zhao
  • [Pw_forum] Pressure-induced phase transition Paolo Giannozzi
  • [Pw_forum] Pressure-induced phase transition Eric Germaneau
  • [Pw_forum] QHA and monoclinic/orthorhombic structures Guntram Schmidt
  • [Pw_forum] QHA and monoclinic/orthorhombic structures [email protected]
  • [Pw_forum] QHA and monoclinic/orthorhombic structures Eyvaz Isaev
  • [Pw_forum] Pressure-induced phase transition Eric Germaneau
  • [Pw_forum] Pressure-induced phase transition Eric Germaneau
• [Pw_forum] projected wavefunction mashiat alaaii
• [Pw_forum] Back to the forum Eyvaz Isaev
• [Pw_forum] how to extract data from phonon calculation to plot phonon frequency dispersion curve bamidele ibrahim
  • [Pw_forum] how to extract data from phonon calculation to plot phonon frequency dispersion curve Eyvaz Isaev
  • [Pw_forum] how to extract data from phonon calculation to plot phonon frequency dispersion curve bamidele ibrahim
• [Pw_forum] QE installation probelm in linux PC (Red hat EL) Raji
  • [Pw_forum] QE installation probelm in linux PC (Red hat EL) GAO Zhe
  • [Pw_forum] QE installation probelm in linux PC (Red hat EL) Paolo Giannozzi
  • [Pw_forum] How to convince QE from local lapack/blas? Guntram Schmidt
  • [Pw_forum] How to convince QE from local lapack/blas? Michael Sullivan
  • [Pw_forum] How to convince QE from local lapack/blas? Guntram Schmidt
  • [Pw_forum] How to convince QE from local lapack/blas? [email protected]
  • [Pw_forum] How to convince QE from local lapack/blas? Guntram Schmidt
  • [Pw_forum] How to convince QE from local lapack/blas? Lorenzo Paulatto
  • [Pw_forum] How to convince QE from local lapack/blas? Paolo Giannozzi
  • [Pw_forum] How to convince QE from local lapack/blas? Guntram Schmidt
  • [Pw_forum] How to convince QE from local lapack/blas? Michael Sullivan
  • [Pw_forum] How to convince QE from local lapack/blas? Guntram Schmidt
  • [Pw_forum] How to convince QE from local lapack/blas? Lorenzo Paulatto
  • [Pw_forum] How to convince QE from local lapack/blas? Paolo Giannozzi
  • [Pw_forum] How to convince QE from local lapack/blas? Michael Sullivan
  • [Pw_forum] How to convince QE from local lapack/blas? Guntram Schmidt
  • [Pw_forum] How to convince QE from local lapack/blas? Paolo Giannozzi
  • [Pw_forum] What files are needed when pw.x restarts? In what case the *.wfc files are need? gbliu
  • [Pw_forum] What files are needed when pw.x restarts? In what case the *.wfc files are need? Seyed Javad Hashemifar
  • [Pw_forum] What files are needed when pw.x restarts? In what case the *.wfc files are need? gbliu
  • [Pw_forum] What files are needed when pw.x restarts? In what case the *.wfc files are need? Seyed Javad Hashemifar
  • [Pw_forum] What files are needed when pw.x restarts? In what case the *.wfc files are need? Giuseppe Mattioli
  • [Pw_forum] What files are needed when pw.x restarts? In what case the *.wfc files are need? Paolo Giannozzi
  • [Pw_forum] What files are needed when pw.x restarts? In what case the *.wfc files are need? gbliu
  • [Pw_forum] What files are needed when pw.x restarts? In what case the *.wfc files are need? Paolo Giannozzi
  • [Pw_forum] What files are needed when pw.x restarts? In what case the *.wfc files are need? gbliu
  • [Pw_forum] How to convince QE from local lapack/blas? [email protected]
• [Pw_forum] charged defects Tram Bui
  • [Pw_forum] charged defects Stefano de Gironcoli
• [Pw_forum] phonon_dos.x not created........ zafar rasheed
  • [Pw_forum] phonon_dos.x not created........ Guntram Schmidt
  • [Pw_forum] phonon_dos.x not created........ GAO Zhe
  • [Pw_forum] phonon_dos.x not created........ Guntram Schmidt
• [Pw_forum] Confusion in choosing rlderiv karan deep
  • [Pw_forum] Confusion in choosing rlderiv Paolo Giannozzi
  • [Pw_forum] Confusion in choosing rlderiv karan deep
• [Pw_forum] bravais lattice of Cmca [email protected]
  • [Pw_forum] bravais lattice of Cmca Sandro Scandolo
• [Pw_forum] Using the outdir from vc-relax Izaak Williamson
  • [Pw_forum] Using the outdir from vc-relax Giuseppe Mattioli
  • [Pw_forum] Using the outdir from vc-relax Izaak Williamson
  • [Pw_forum] Using the outdir from vc-relax Giuseppe Mattioli
• [Pw_forum] What occupation should be used Izaak Williamson
  • [Pw_forum] What occupation should be used Giuseppe Mattioli
• [Pw_forum] assistance with QHA Guntram Schmidt
  • [Pw_forum] assistance with QHA mohsen modaresi
  • [Pw_forum] assistance with QHA Guntram Schmidt
  • [Pw_forum] from matdyn : error # 49 Guntram Schmidt
  • [Pw_forum] from matdyn : error # 49 GAO Zhe
  • [Pw_forum] assistance with QHA GAO Zhe
• [Pw_forum] Opening .xml files on linux Izaak Williamson
  • [Pw_forum] Opening .xml files on linux Gabriele Sclauzero
  • [Pw_forum] Opening .xml files on linux Izaak Williamson
  • [Pw_forum] Opening .xml files on linux Gabriele Sclauzero
• [Pw_forum] São Paulo ICTP/TWAS Advanced School on Computational Materials Science Sandro Scandolo
• [Pw_forum] Vc-relax error with option cell_dofree mayank gupta
• [Pw_forum] draw a ELF diagram using XCrysDen (Mahdi Faqieh nasiri) [email protected]
  • [Pw_forum] draw a ELF diagram using XCrysDen (Mahdi Faqieh nasiri) [email protected]
  • [Pw_forum] draw a ELF diagram using XCrysDen (Mahdi Faqieh nasiri) Stefano Baroni
  • [Pw_forum] Why dielectric function of only interband contribution has the features of intraband? gbliu
• [Pw_forum] draw a ELF diagram using XCrysDen Mahdi Faqieh nasiri
  • [Pw_forum] draw a ELF diagram using XCrysDen Mahdi Faqieh nasiri
• [Pw_forum] XX and YY component in stress matrix are not same for body centred tetragonal structure mayank gupta
• [Pw_forum] problem with symmetry recognition pascal boulet
  • [Pw_forum] problem with symmetry recognition Paolo Giannozzi
• [Pw_forum] On the doping modeling: how to determine all of the non-equivalent doping configurations? Hongsheng Zhao
• [Pw_forum] problem with symmetry recognition pascal boulet
  • [Pw_forum] problem with symmetry recognition Vic Bermudez
  • [Pw_forum] problem with symmetry recognition Stefano de Gironcoli
  • [Pw_forum] problem with symmetry recognition [email protected]
  • [Pw_forum] problem with symmetry recognition Stefano de Gironcoli
  • [Pw_forum] problem with symmetry recognition [email protected]
  • [Pw_forum] problem with symmetry recognition Stefano de Gironcoli
  • [Pw_forum] problem with symmetry recognition Giuseppe Mattioli
  • [Pw_forum] problem with symmetry recognition Paolo Giannozzi
• [Pw_forum] reading atomic position in *.save Vi Vo
  • [Pw_forum] reading atomic position in *.save Paolo Giannozzi
  • [Pw_forum] reading atomic position in *.save Vi Vo
• [Pw_forum] I need norm conserving pseudopotetial for Zinc that can work with pwscf bamidele ibrahim
  • [Pw_forum] I need norm conserving pseudopotetial for Zinc that can work with pwscf Martin Andersson
  • [Pw_forum] I need norm conserving pseudopotetial for Zinc that can work with pwscf gbliu
  • [Pw_forum] I need norm conserving pseudopotetial for Zinc that can work with pwscf bamidele ibrahim
  • [Pw_forum] I need norm conserving pseudopotetial for Zinc that can work with pwscf gbliu
• [Pw_forum] Problem with NEB Images (vers. 4.3.1) Vic Bermudez
  • [Pw_forum] Problem with NEB Images (vers. 4.3.1) Paolo Giannozzi
• [Pw_forum] Raman cross section for metals jinxi
  • [Pw_forum] Raman cross section for metals Stefano de Gironcoli
• [Pw_forum] XANES SiO2 Matteo Calandra
• [Pw_forum] dE0s is positive which should never happen Guntram Schmidt
  • [Pw_forum] dE0s is positive which should never happen Nicholas Edward Miller
  • [Pw_forum] dE0s is positive which should never happen Lorenzo Paulatto
  • [Pw_forum] dE0s is positive which should never happen [email protected]
  • [Pw_forum] dE0s is positive which should never happen Guntram Schmidt
  • [Pw_forum] dE0s is positive which should never happen Paolo Giannozzi
  • [Pw_forum] dE0s is positive which should never happen Guntram Schmidt
  • [Pw_forum] dE0s is positive which should never happen Paolo Giannozzi
  • [Pw_forum] dE0s is positive which should never happen Guntram Schmidt
  • [Pw_forum] dE0s is positive which should never happen Paolo Giannozzi
  • [Pw_forum] dE0s is positive which should never happen Guntram Schmidt
  • [Pw_forum] dE0s is positive which should never happen Alexandru Bogdan Georgescu
  • [Pw_forum] dE0s is positive which should never happen Paolo Giannozzi
• [Pw_forum] Inability of PWgui version 4.3 to open an example input file ?nkaya Ugur Yigit
  • [Pw_forum] Inability of PWgui version 4.3 to open an example input file Lorenzo Paulatto
  • [Pw_forum] Inability of PWgui version 4.3 to open an example input file Lorenzo Paulatto
  • [Pw_forum] Inability of PWgui version 4.3 to open an example input file ?nkaya Ugur Yigit
• [Pw_forum] "relax" vs. "vc-relax" calculation Tram Bui
  • [Pw_forum] "relax" vs. "vc-relax" calculation Masoud Nahali
  • [Pw_forum] "relax" vs. "vc-relax" calculation Tram Bui
  • [Pw_forum] "relax" vs. "vc-relax" calculation Masoud Nahali
• [Pw_forum] SiO2 xanes calculation [email protected]
  • [Pw_forum] What's wrong in my calculation of epsilon of fcc Au? gbliu
  • [Pw_forum] What's wrong in my calculation of epsilon of fcc Au? gbliu
  • [Pw_forum] What's wrong in my calculation of epsilon of fcc Au? gbliu
  • [Pw_forum] What's wrong in my calculation of epsilon of fcc Au? gbliu
  • [Pw_forum] What's wrong in my calculation of epsilon of fcc Au? Tao Sun
  • [Pw_forum] What's wrong in my calculation of epsilon of fcc Au? gbliu
  • [Pw_forum] What's wrong in my calculation of epsilon of fcc Au? Tao Sun
  • [Pw_forum] What's wrong in my calculation of epsilon of fcc Au? gbliu
  • [Pw_forum] What's wrong in my calculation of epsilon of fcc Au? Tao Sun
  • [Pw_forum] What's wrong in my calculation of epsilon of fcc Au? Tao Sun
  • [Pw_forum] What's wrong in my calculation of epsilon of fcc Au? gbliu
  • [Pw_forum] What's wrong in my calculation of epsilon of fcc Au? gbliu
  • [Pw_forum] SiO2 xanes calculation Matteo Calandra
  • [Pw_forum] SiO2 xanes calculation [email protected]
• [Pw_forum] hysteresis Loop Mahdi Mirnezhad
  • [Pw_forum] hysteresis Loop Gabriele Sclauzero
  • [Pw_forum] hysteresis Loop Mahdi Mirnezhad
  • [Pw_forum] hysteresis Loop Seyed Javad Hashemifar
• [Pw_forum] constraint yuva rani
• [Pw_forum] Fwd: pp convergence once more Guntram Schmidt
• [Pw_forum] OCCUPATION , example 11 Mehrnoosh Hazrati
  • [Pw_forum] OCCUPATION , example 11 Gabriele Sclauzero
  • [Pw_forum] OCCUPATION , example 11 Mehrnoosh Hazrati
• [Pw_forum] negative dr2 Dan Fors
  • [Pw_forum] negative dr2 Holzwarth, Natalie
  • [Pw_forum] negative dr2 Sonu Kumar
• [Pw_forum] Problem with vdW-DF2 WANG Wei
• [Pw_forum] Different adsorbate dipole moments from 4.3.1 and 4.0.1 Guido Fratesi
  • [Pw_forum] Different adsorbate dipole moments from 4.3.1 and 4.0.1 Guido Fratesi
• [Pw_forum] can pwscf compute elastic constant? bamidele ibrahim
  • [Pw_forum] can pwscf compute elastic constant? Sanjeev Gupta

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