January 2018 Archives by thread

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Starting: Mon Jan 1 01:32:24 CET 2018
Ending: Wed Jan 31 18:50:42 CET 2018
Messages: 190

• [Pw_forum] error in compilation of WEST   José C. Conesa
  • [Pw_forum] error in compilation of WEST   Eduardo Menendez
• [Pw_forum] In the presence of electric field: which parameter help with convergence   Christoph Wolf
  • [Pw_forum] In the presence of electric field: which parameter help with convergence   Christoph Wolf
• [Pw_forum] Pw_forum Digest, Vol 125, Issue 23   Ronald Cohen
  • [Pw_forum] Pw_forum Digest, Vol 125, Issue 23   Paolo Giannozzi
• [Pw_forum] Fourier interpolation for DFPT   Krishnendu Mukherjee
  • [Pw_forum] Fourier interpolation for DFPT   Dragoni Daniele
• [Pw_forum] Regarding GW method   mohaddeseh abbasnejad
• [Pw_forum] integrated real space q too different from target q   Eduardo Menendez
  • [Pw_forum] integrated real space q too different from target q   Paolo Giannozzi
• [Pw_forum] Installing Quantum Espresso version 6.2 with GFORTRAN and OPENMPI2   Stefan Seidl
  • [Pw_forum] Installing Quantum Espresso version 6.2 with GFORTRAN and OPENMPI2   Yasser Fowad AlWahedi
• [Pw_forum] Alpha testers for QE6.2 graphical interface and binaries?   Fedor Goumans
• [Pw_forum] Elastic constant calculations   Sudha Priyanka
  • [Pw_forum] Fwd: Elastic constant calculations   Sudha Priyanka
• [Pw_forum] GWW for bulk Si   Eric Glen Suter
  • [Pw_forum] GWW for bulk Si   Paolo Giannozzi
• [Pw_forum] Phonon calculation for Zr   Krishnendu Mukherjee
• [Pw_forum] If one atom is heavy, another is lighter, what type of pseudo potentials should be used ?   Jagdish verma
  • [Pw_forum] If one atom is heavy, another is lighter, what type of pseudo potentials should be used ?   Sitangshu Bhattacharya
  • [Pw_forum] If one atom is heavy, another is lighter, what type of pseudo potentials should be used ?   Eduardo Menendez
    • [Pw_forum] If one atom is heavy, another is lighter, what type of pseudo potentials should be used ?   Sitangshu Bhattacharya
• [Pw_forum] Could not find the mode symmetry after phonon frequency calculation of gamma point   黄志硕
  • [Pw_forum] Could not find the mode symmetry after phonon frequency calculation of gamma point   Sitangshu Bhattacharya
    • [Pw_forum] Could not find the mode symmetry after phonon frequency calculation of gamma point   Paolo Giannozzi
      • [Pw_forum] Could not find the mode symmetry after phonon frequency calculation of gamma point   Sitangshu Bhattacharya
  • [Pw_forum] Could not find the mode symmetry after phonon frequency calculation of gamma point   黄志硕
  • [Pw_forum] Could not find the mode symmetry after phonon frequency calculation of gamma point   黄志硕
    • [Pw_forum] Could not find the mode symmetry after phonon frequency calculation of gamma point   Sitangshu Bhattacharya
  • [Pw_forum] Could not find the mode symmetry after phonon frequency calculation of gamma point   黄志硕
• [Pw_forum] Applying sawtooth filed parallel to a system   Mohammed Ghadiyali
  • [Pw_forum] Applying sawtooth filed parallel to a system   Thomas Brumme
    • [Pw_forum] Applying sawtooth filed parallel to a system   Mohammed Ghadiyali
      • [Pw_forum] Applying sawtooth filed parallel to a system   Thomas Brumme
      • [Pw_forum] Applying sawtooth filed parallel to a system   Mohammed Ghadiyali
      • [Pw_forum] Applying sawtooth filed parallel to a system   Thomas Brumme
      • [Pw_forum] Applying sawtooth filed parallel to a system   Mohammed Ghadiyali
      • [Pw_forum] Applying sawtooth filed parallel to a system   Thomas Brumme
      • [Pw_forum] Applying sawtooth filed parallel to a system   Mohammed Ghadiyali
• [Pw_forum] error while running lambda.x   qurat-ul Ain
• [Pw_forum] Error in UPF.F90 in Modules   Paolo Giannozzi
• [Pw_forum] DFT+U calculations   Eleftheria Gkogkosi
  • [Pw_forum] DFT+U calculations   Giuseppe Mattioli
  • [Pw_forum] DFT+U calculations   Cococcioni Matteo
• [Pw_forum] problem calculating pdos (projwfc.x)   B S Bhushan
  • [Pw_forum] problem calculating pdos (projwfc.x)   B S Bhushan
• [Pw_forum] Is it possible to calculated IR and Raman spectra for molecules adsorbed on metal surfaces   jibiaoli
  • [Pw_forum] Is it possible to calculated IR and Raman spectra for molecules adsorbed on metal surfaces   Ari P Seitsonen
• [Pw_forum] MaX International Conference 2018 "Materials Design at the Exascale: High-Performance and High-Throughput Computing" - Trieste (IT) - January 29-31, 2018   Andrea Ferretti
• [Pw_forum] Pseudopotential Radius for K   Lance Kavalsky
  • [Pw_forum] Pseudopotential Radius for K   Ari P Seitsonen
    • [Pw_forum] Pseudopotential Radius for K   Lance Kavalsky
  • [Pw_forum] Pseudopotential Radius for K   Paolo Giannozzi
• [Pw_forum] partial phonon density of states   surender at iitk.ac.in
• [Pw_forum] Strange error out of scf calculation   jibiaoli
  • [Pw_forum] Strange error out of scf calculation   Paolo Giannozzi
  • [Pw_forum] Strange error out of scf calculation   Giovanni Cantele
• [Pw_forum] Error from Raman calculation by QE 6.1   jibiaoli
  • [Pw_forum] Error from Raman calculation by QE 6.1   Ilya Ryabinkin
• [Pw_forum] nspin values   Krishnendu Mukherjee
• [Pw_forum] Different Errors of Raman calculations for ZnO and ZnS   jibiaoli
  • [Pw_forum] Different Errors of Raman calculations for ZnO and ZnS   Ilya Ryabinkin
  • [Pw_forum] Different Errors of Raman calculations for ZnO and ZnS   Leonid Kahle
• [Pw_forum] vc-relax   ade wale
  • [Pw_forum] Vc-relax   Anik Mondol
• [Pw_forum] problem of intertwined bands in the bandstructure   Omar BESBES
• [Pw_forum] Phonon calculation of Silicene: ph.x   NEELESH GUPTA
  • [Pw_forum] Phonon calculation of Silicene: ph.x   Jagdish verma
    • [Pw_forum] Phonon calculation of Silicene: ph.x   Ari P Seitsonen
    • [Pw_forum] Phonon calculation of Silicene: ph.x   NEELESH GUPTA
      • [Pw_forum] Phonon calculation of Silicene: ph.x   Saif Ullah
• [Pw_forum] XSpectra orbitals   Andrea Pedrielli
• [Pw_forum] electric field   Eliya Asmani
• [Pw_forum] Shall we calculate some of the parameters by USPP and some other properties by norm conserving PP for same compound?   Sudha Priyanka
  • [Pw_forum] Shall we calculate some of the parameters by USPP and some other properties by norm conserving PP for same compound?   Eduardo Menendez
    • [Pw_forum] Shall we calculate some of the parameters by USPP and some other properties by norm conserving PP for same compound?   Sudha Priyanka
• [Pw_forum] overlap matrix   Negar Ashari Astani
  • [Pw_forum] overlap matrix   Kevin May
  • [Pw_forum] overlap matrix   Negar Ashari Astani
    • [Pw_forum] overlap matrix   Andrew Supka
      • [Pw_forum] overlap matrix   Paolo Giannozzi
• [Pw_forum] LDA+U inclusion of Hubbard U term on f and d electrons simultaneously   Anna Garden
  • [Pw_forum] LDA+U inclusion of Hubbard U term on f and d electrons simultaneously   Giuseppe Mattioli
• [Pw_forum] "recipe" for isostm_plot   Christoph Wolf
• [Pw_forum] Is PAW a PP method?   Evren Ataman
  • [Pw_forum] Is PAW a PP method?   Giovanni Cantele
  • [Pw_forum] Is PAW a PP method?   Giuseppe Mattioli
• [Pw_forum] phonon calculations for molecules   Ruben Soria-Martinez
• [Pw_forum] site magnetization   FARAH MARSUSI
• [Pw_forum] how to fix cellside   Maxim Arsentev
  • [Pw_forum] how to fix cellside   Carlo Nervi
  • [Pw_forum] how to fix cellside   Saif Ullah
• [Pw_forum] Unit of charge in pdos.out file   Ubaid Mohd
  • [Pw_forum] Unit of charge in pdos.out file   Lorenzo Paulatto
    • [Pw_forum] Unit of charge in pdos.out file   Ubaid Mohd
  • [Pw_forum] Unit of charge in pdos.out file   Giuseppe Mattioli
    • [Pw_forum] Unit of charge in pdos.out file   Ubaid Mohd
• [Pw_forum] Pw_forum Digest, Vol 125, Issue 14   Anuja Chanana
• [Pw_forum] from read_wfc : error # 29 cannot open restart file for reading   杨海龙
  • [Pw_forum] from read_wfc : error # 29 cannot open restart file for reading   Paolo Giannozzi
    • [Pw_forum] from read_wfc : error # 29 cannot open restart file for reading   Lorenzo Paulatto
• [Pw_forum] About Band Structure Plot   Akmal Khan
• [Pw_forum] some band parities absent at bands.x output   Rajdeep Banerjee
• [Pw_forum] FFT parallel bug with GCC+MPICH2 under Windows   GAO Zhe
• [Pw_forum] Problem with projwfc.x in SOC calculation   Akmal Khan
  • [Pw_forum] Problem with projwfc.x in SOC calculation   Yasser Fowad AlWahedi
  • [Pw_forum] Problem with projwfc.x in SOC calculation   Lorenzo Paulatto
    • [Pw_forum] Problem with projwfc.x in SOC calculation   Akmal Khan
      • [Pw_forum] Problem with projwfc.x in SOC calculation   Paolo Giannozzi
• [Pw_forum] VC-relax with HSE   David Foster
• [Pw_forum] Crash with Environ-0.2   Huu Chuong Nguyën
  • [Pw_forum] Crash with Environ-0.2   Oliviero Andreussi
• [Pw_forum] dependence of bandstructure to the basis set   Zara Nosh
  • [Pw_forum] dependence of bandstructure to the basis set   Zara Nosh
    • [Pw_forum] dependence of bandstructure to the basis set   Thomas Brumme
    • [Pw_forum] dependence of bandstructure to the basis set   Saif Ullah
    • [Pw_forum] dependence of bandstructure to the basis set   Lorenzo Paulatto
• [Pw_forum] Phonon calculations   Perpetua Wanjiru
• [Pw_forum] from splitwf : error # 334867 wrong size for pwt   杨海龙
  • [Pw_forum] from splitwf : error # 334867 wrong size for pwt   Pietro Delugas
• [Pw_forum] pseudo-potentials of QE and inter-atomic potentials of LAMMPS   Zbigniew Kozioł
  • [Pw_forum] pseudo-potentials of QE and inter-atomic potentials of LAMMPS   Lorenzo Paulatto
    • [Pw_forum] pseudo-potentials of QE and inter-atomic potentials of LAMMPS   Nicola Marzari
• [Pw_forum] Compilation error with Environ and TDDFPT   Rolly Ng
  • [Pw_forum] Compilation error with Environ and TDDFPT   Timrov Iurii
    • [Pw_forum] Compilation error with Environ and TDDFPT   Rolly Ng
      • [Pw_forum] Compilation error with Environ and TDDFPT   Paolo Giannozzi
• [Pw_forum] Silicon US pseudopotential XSpectra   Andrea Pedrielli
• [Pw_forum] Generating PPs for calculating initial state core level shifts   Jan Oliver Oelerich
  • [Pw_forum] Generating PPs for calculating initial state core level shifts   Evren Ataman
• [Pw_forum] how to set the initial magnetization in non-collinear calculations   Eduardo Menendez
  • [Pw_forum] how to set the initial magnetization in non-collinear calculations   Pietro Delugas
• [Pw_forum] Phonon calculation of Silicene   NEELESH GUPTA
  • [Pw_forum] Phonon calculation of Silicene   NEELESH GUPTA
  • [Pw_forum] Phonon calculation of Silicene   Lorenzo Paulatto
    • [Pw_forum] Phonon calculation of Silicene   NEELESH GUPTA
• [Pw_forum] LDA+U and noncolin lspinorb : hub file not written?   Christoph Wolf
  • [Pw_forum] LDA+U and noncolin lspinorb : hub file not written?   Paolo Giannozzi
  • [Pw_forum] LDA+U and noncolin lspinorb : hub file not written?   FARAH MARSUSI
• [Pw_forum] custum-definitions in Xcrysden: complete list of key words   JAY Antoine
  • [Pw_forum] custum-definitions in Xcrysden: complete list of key words   Matic Poberznik
    • [Pw_forum] custum-definitions in Xcrysden: complete list of key words   Matic Poberznik
    • [Pw_forum] custum-definitions in Xcrysden: complete list of key words... some are missing   JAY Antoine
• [Pw_forum] ibrav = 13 monoclinic-base-centered unique axis   José Carlos Conesa
  • [Pw_forum] ibrav = 13 monoclinic-base-centered unique axis   Paolo Giannozzi
    • [Pw_forum] ibrav = 13 monoclinic-base-centered unique axis   José C. Conesa
      • [Pw_forum] ibrav = 13 monoclinic-base-centered unique axis   Vahid Askarpour
      • [Pw_forum] ibrav = 13 monoclinic-base-centered unique axis   José C. Conesa
      • [Pw_forum] ibrav = 13 monoclinic-base-centered unique axis   Paolo Giannozzi
• [Pw_forum] Viedo for calculating hubbard term   AmirHossein Firouzkhani
  • [Pw_forum] Viedo for calculating hubbard term   Paolo Giannozzi
• [Pw_forum] Hybrid DFT calculations in QE v 6.2 and PAW datasets   Luc LeBlanc
• [Pw_forum] Regarding error while running el-ph coupling with PAW potentials   pachineela rambabu
• [Pw_forum] pwcond error: NAN value of transmission   zhout2
  • [Pw_forum] pwcond error: NAN value of transmission   Paolo Giannozzi
• [Pw_forum] Problem with ld1.x   elchatz at auth.gr
  • [Pw_forum] Problem with ld1.x   Lorenzo Paulatto
    • [Pw_forum] Problem with ld1.x   elchatz at auth.gr
      • [Pw_forum] Problem with ld1.x   Lorenzo Paulatto
    • [Pw_forum] Problem with ld1.x   elchatz at auth.gr
      • [Pw_forum] Problem with ld1.x   Lorenzo Paulatto
      • [Pw_forum] Problem with ld1.x   elchatz at auth.gr
      • [Pw_forum] Problem with ld1.x   Lorenzo Paulatto
      • [Pw_forum] Problem with ld1.x   elchatz at auth.gr
      • [Pw_forum] Problem with ld1.x   Giuseppe Mattioli
      • [Pw_forum] Problem with ld1.x   elchatz at auth.gr
• [Pw_forum] Relativistic NC-PP's for uranium   Malte Sachs
  • [Pw_forum] Relativistic NC-PP's for uranium   Vahid Askarpour
• [Pw_forum] bug: cosAC does not work with (centered) monoclinic groups using unique b axis   José C. Conesa
  • [Pw_forum] bug: cosAC does not work with (centered) monoclinic groups using unique b axis   Paolo Giannozzi
    • [Pw_forum] bug: cosAC does not work with (centered) monoclinic groups using unique b axis   José C. Conesa
      • [Pw_forum] bug: cosAC does not work with (centered) monoclinic groups using unique b axis   Paolo Giannozzi
      • [Pw_forum] bug: cosAC does not work with (centered) monoclinic groups using unique b axis   José C. Conesa
• [Pw_forum] pw.x stops seemingly randomly with no warning when northo > 1   Andrew Supka
• [Pw_forum] the unit of N(Ef) in the output of lambda.x   Yue-Wen Fang
  • [Pw_forum] the unit of N(Ef) in the output of lambda.x   Yue-Wen Fang
• [Pw_forum] Error in DOS calculation ( Spin orbit coupling )   Anik Mondol
  • [Pw_forum] Error in DOS calculation ( Spin orbit coupling )   Vahid Askarpour
• [Pw_forum] Units for celldm(1)   Krishnendu Mukherjee
  • [Pw_forum] Units for celldm(1)   Lorenzo Paulatto
• [Pw_forum] pw2wannier90: compute uHu crashes (example works fine)   Christoph Wolf
• [Pw_forum] "Segmentation fault" Error in KDOS   Mohammed Ghadiyali
  • [Pw_forum] "Segmentation fault" Error in KDOS   Yasser Fowad AlWahedi
• [Pw_forum] phonon dispersion by using optimized tetrahedron method   Enamul Haque
• [Pw_forum] Regarding Phonon dispersion with SOC   pachineela rambabu
• [Pw_forum] Error computing cholesky   Денис Завелев
• [Pw_forum] CP Help   Amar Singh
• [Pw_forum] How to keep symmetry of crystal invariant during geometry optimization in PWscf / Quantum Espresso?   Yin Li
  • [Pw_forum] How to keep symmetry of crystal invariant during geometry optimization in PWscf / Quantum Espresso?   Paolo Giannozzi

Last message date: Wed Jan 31 18:50:42 CET 2018
Archived on: Wed Feb 28 11:19:03 CET 2018

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