July 2018 Archives by author

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Starting: Sun Jul 1 13:45:25 CEST 2018
Ending: Tue Jul 31 15:56:33 CEST 2018
Messages: 153

[QE-users] Magnetic anisotropy energy in QE 6.3 Marcos Veríssimo Alves
[QE-users] Magnetic anisotropy energy in QE 6.3 Marcos Veríssimo Alves
[QE-users] Magnetic anisotropy energy in QE 6.3 Marcos Veríssimo Alves
[QE-users] Problem in running magnetic force theorem example in QE 6.3 Marcos Veríssimo Alves
[QE-users] Magnetic anisotropy energy in QE 6.3 Marcos Veríssimo Alves
[QE-users] Problem in running magnetic force theorem example in QE 6.3 Marcos Veríssimo Alves
[QE-users] Using charge density from previous calculation as starting point for different k-point grid Marcos Veríssimo Alves
[QE-users] Recover phonons frequencies from the eigenmodes JAY Antoine
[QE-users] ?==?utf-8?q? Recover phonons frequencies from the eigenmodes JAY Antoine
[QE-users] ?==?utf-8?q? ?==?utf-8?q? ?= Recover phonons frequencies from the eigenmode JAY Antoine
[QE-users] qexml Stefano Baroni
[QE-users] Error related to point group symmetry Stefano Baroni
[QE-users] Behaviour of total force in vc-relax Chandler Bennett
[QE-users] Problems to run QE in parallel Anibal Bezerra
[QE-users] Problems to run QE in parallel Anibal Bezerra
[QE-users] Error regarding dvscf file generation in pH.x calculation Anindya Bose
[QE-users] Point group symmetry error Anindya Bose
[QE-users] Error related to point group symmetry Anindya Bose
[QE-users] Error related to point group symmetry Anindya Bose
[QE-users] Error regarding dvscf file generation in pH.x calculation Anindya Bose
[QE-users] Error related to point group symmetry Anindya Bose
[QE-users] dipole correction - "saggy" electrostatic potential? Dr. Thomas Brumme
[QE-users] dipole correction - "saggy" electrostatic potential? Dr. Thomas Brumme
[QE-users] Adsorption energy studies Giovanni Cantele
[QE-users] Adsorption energy studies Giovanni Cantele
[QE-users] Got Different fermi energy from qe as compared to published result (vasp) Aurab Chakrabarty
[QE-users] Shifting of Fermi level by applying bi-axial strain Rajneesh Chaurasiya
[QE-users] Shifting of Fermi level by applying bi-axial strain Rajneesh Chaurasiya
[QE-users] Can I calculate projection of the density of states (PDOS) in specified direction? Andrey Chibisov
[QE-users] starting charge on atomic type 'i' Andrey Chibisov
[QE-users] Dipole correction- plot Manjusha Chugh
[QE-users] problem compiling qe-6.3 José Carlos Conesa
[QE-users] problem compiling qe-6.3 José Carlos Conesa
[QE-users] Problem with compiling thermo_pw (with QE 6.3) Andrea Dal Corso
[QE-users] [SUSPECT ATTACHMENT REMOVED] Error "Finished with exit code 174 - forrtl: severe (174): SIGSEGV, segmentation fault occurred" Paolo Costa
[QE-users] [SUSPECT ATTACHMENT REMOVED] Error "Finished with exit code 174 - forrtl: severe (174): SIGSEGV, segmentation fault occurred" Paolo Costa
[QE-users] Dipole correction- plot Paolo Costa
[QE-users] Dipole correction- plot Paolo Costa
[QE-users] Adsorption studies Paolo Costa
[QE-users] Adsorption studies Paolo Costa
[QE-users] Adsorption energy studies Paolo Costa
[QE-users] Adsorption energy studies Paolo Costa
[QE-users] Adsorption energy studies Paolo Costa
[QE-users] Adsorption studies Paolo Costa
[QE-users] problem computing cholesky BARRETEAU Cyrille
[QE-users] problem computing cholesky BARRETEAU Cyrille
[QE-users] Magnetic anisotropy energy in QE 6.3 BARRETEAU Cyrille
[QE-users] Magnetic anisotropy energy in QE 6.3 BARRETEAU Cyrille
[QE-users] Magnetic anisotropy energy in QE 6.3 BARRETEAU Cyrille
[QE-users] Problem in running magnetic force theorem example in QE 6.3 BARRETEAU Cyrille
[QE-users] problem computing cholesky Will DeBenedetti
[QE-users] [SUSPECT ATTACHMENT REMOVED] Error "Finished with exit code 174 - forrtl: severe (174): SIGSEGV, segmentation fault occurred" Will DeBenedetti
[QE-users] qexml Pietro Delugas
[QE-users] Problem with compiling thermo_pw (with QE 6.3) Pietro Delugas
[QE-users] File .wfc1 is not generated by scf run Pietro Delugas
[QE-users] Error related to point group symmetry Pietro Delugas
[QE-users] pw_export Andrea Ferretti
[QE-users] pw_export Andrea Ferretti
[QE-users] dipole correction - "saggy" electrostatic potential? Paolo Giannozzi
[QE-users] Shifting of Fermi level by applying bi-axial strain Paolo Giannozzi
[QE-users] problem computing cholesky Paolo Giannozzi
[QE-users] Problem during compiling QE Paolo Giannozzi
[QE-users] Error in routine postproc (17) :reading inputpp namelist Paolo Giannozzi
[QE-users] Sloution Paolo Giannozzi
[QE-users] problem compiling qe-6.3 Paolo Giannozzi
[QE-users] Problems to run QE in parallel Paolo Giannozzi
[QE-users] Problems to run QE in parallel Paolo Giannozzi
[QE-users] problem compiling qe-6.3 Paolo Giannozzi
[QE-users] Installing qe-6.3. Install directory PREFIX does not work Paolo Giannozzi
[QE-users] Installing qe-6.3. Install directory PREFIX does not work Paolo Giannozzi
[QE-users] Magnetic anisotropy energy in QE 6.3 Paolo Giannozzi
[QE-users] Installing qe-6.3. Install directory PREFIX does not work Paolo Giannozzi
[QE-users] Problem in installing QE 6.3 Paolo Giannozzi
[QE-users] Using charge density from previous calculation as starting point for different k-point grid Paolo Giannozzi
[QE-users] Installing qe-6.3. Install directory PREFIX does not work Dan Gil
[QE-users] Installing qe-6.3. Install directory PREFIX does not work Dan Gil
[QE-users] Installing qe-6.3. Install directory PREFIX does not work Dan Gil
[QE-users] QEGPU Problem Mohammadreza Hosseini
[QE-users] QEGPU Problem Mohammadreza Hosseini
[QE-users] [QE-GPU] compilation error at installation Yi-Ping Huang
[QE-users] TDDFPT - EELS: restart generates NaNs Timrov Iurii
[QE-users] TDDFPT - EELS: restart generates NaNs Timrov Iurii
[QE-users] Restarting MD from VC-MD Lance Kavalsky
[QE-users] TDDFPT - EELS: restart generates NaNs Levi Keller
[QE-users] File .wfc1 is not generated by scf run Martina Lessio
[QE-users] File .wfc1 is not generated by scf run Martina Lessio
[QE-users] File .wfc1 is not generated by scf run Martina Lessio
[QE-users] Sloution Eloge MADILA
[QE-users] AFM configuration in Quantum Espresso Ruchika Mahajan
[QE-users] AFM configuration in Quantum Espresso Rita Maji
[QE-users] (no subject) Priyanka Makkar
[QE-users] [SUSPECT ATTACHMENT REMOVED] QE/GIPAW different results with input file in bohr or angstrom Paruzzo Federico Maria
[QE-users] [SUSPECT ATTACHMENT REMOVED] QE/GIPAW different results with input file in bohr or angstrom Paruzzo Federico Maria
[QE-users] DFT+U and surfaces -- convergence Cococcioni Matteo
[QE-users] DFT+U and surfaces -- convergence Giuseppe Mattioli
[QE-users] Fwd: Tc for MgB2 Mohammad Moaddeli
[QE-users] lambda.x and electron-phonon coupling in MgB2 Mohammad Moaddeli
[QE-users] Problem with constraint optimisation routine Sourav Mondal
[QE-users] Inconsistency in pressure and energy in optimizing degauss Sudip Kumar Mondal
[QE-users] Tetragonal vc-relax, is breaking the symmetry Lucas Nicolás Lodeiro Moraga
[QE-users] Problem during compiling QE Shoaib Muhammad
[QE-users] Problem in fixing selected atomic positions in "vc-relax" calculation Shoaib Muhammad
[QE-users] Using Bands.x for quantum espresso version 6.3 Iftikhar Ahmad Niaz
[QE-users] PAW Pesudo Problems with Molecular Dynamics (cp.x) Marzari Nicola
[QE-users] DFT+U and surfaces -- convergence Lorenzo Paulatto
[QE-users] Shifting of Fermi level by applying bi-axial strain Lorenzo Paulatto
[QE-users] wfck2r.x Lorenzo Paulatto
[QE-users] Recover phonons frequencies from the eigenmodes Lorenzo Paulatto
[QE-users] ?= Recover phonons frequencies from the eigenmode Lorenzo Paulatto
[QE-users] Tetragonal vc-relax, is breaking the symmetry Lorenzo Paulatto
[QE-users] AFM configuration in Quantum Espresso Lorenzo Paulatto
[QE-users] File .wfc1 is not generated by scf run Lorenzo Paulatto
[QE-users] Adsorption studies Lorenzo Paulatto
[QE-users] Fwd: Tc for MgB2 Warren Pickett
[QE-users] Two open positions for computational materials scientists/software scientists on data and services (THEOS, EPFL) Giovanni Pizzi
[QE-users] Xanes M1 spectra Malte Sachs
[QE-users] Got Different fermi energy from qe as compared to published result (vasp) Priya Shrivastava
[QE-users] Magnetic moment per site Joaquim Jornet Somoza
[QE-users] Non zero polarization in un-distorted cubic KNbO3 Rajender Prasad Tiwari
[QE-users] Non zero polarization in un-distorted cubic KNbO3 Rajender Prasad Tiwari
[QE-users] Adsorption studies Hande Toffoli
[QE-users] Adsorption studies Hande Toffoli
[QE-users] wfck2r.x Zahra Torbatian
[QE-users] wfck2r.x Zahra Torbatian
[QE-users] pw_export Zahra Torbatian
[QE-users] pw_export Zahra Torbatian
[QE-users] qexml Zahra Torbatian
[QE-users] qexml Zahra Torbatian
[QE-users] qexml Zahra Torbatian
[QE-users] Questions on Applying Pressure in VC-MD Simulations Nam Tran
[QE-users] PAW Pesudo Problems with Molecular Dynamics (cp.x) Nam Tran
[QE-users] PAW Pesudo Problems with Molecular Dynamics (cp.x) Nam Tran
[QE-users] Chemical potential Roman Voronkov
[QE-users] dipole correction - "saggy" electrostatic potential? Christoph Wolf
[QE-users] DFT+U and surfaces -- convergence Christoph Wolf
[QE-users] dipole correction - "saggy" electrostatic potential? Christoph Wolf
[QE-users] problem computing cholesky Christoph Wolf
[QE-users] running non-soc calculation with a normcons FR PP is possible? Christoph Wolf
[QE-users] [SUSPECT ATTACHMENT REMOVED] Differences in the angular momentum projection (fat-bands): US/PAW/NC Christoph Wolf
[QE-users] Projected bulk band structure - how to? Christoph Wolf
[QE-users] Problem with compiling thermo_pw (with QE 6.3) Christoph Wolf
[QE-users] Regarding Vacuum level mohaddeseh abbasnejad
[QE-users] how to calculate with QHA on quantum espresso 6.3 when I made the calculations (Run Me) all the empty output plug mahrouche fayï¿½al
[QE-users] [QE-GPU] compilation error at installation pietro.bonfa at fis.unipr.it
[QE-users] Error in routine postproc (17) :reading inputpp namelist jibiaoli
[QE-users] Applying ESM with field makes no difference jibiaoli
[QE-users] Applying ESM with field makes no difference jibiaoli
[QE-users] Band structure plot with high symmetry points arunava.kar at saha.ac.in
[QE-users] users Digest, Vol 132, Issue 11 halim said
[QE-users] users Digest, Vol 132, Issue 11 halim said
[QE-users] users Digest, Vol 132, Issue 11 halim said
[QE-users] Applying ESM with field makes no difference 大谷実
[QE-users] Problem in installing QE 6.3 桂伟

Last message date: Tue Jul 31 15:56:33 CEST 2018
Archived on: Tue Jul 31 15:56:35 CEST 2018

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