June 2019 Archives by author

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Starting: Sat Jun 1 16:49:47 CEST 2019
Ending: Sat Jun 29 08:54:32 CEST 2019
Messages: 144

[QE-users] Asking how to use VCA in semiconductor miscible alloy Tuoc Vu N. (HUST)
[QE-users] Asking how to use VCA in semiconductor miscible alloy Tuoc Vu N. (HUST)
[QE-users] (no subject) ANKITA SINGH Res. Scholar, School of Mat. Sci. & Tech. IIT (BHU)
[QE-users] PBE + vdW or Grimme-D3 Sohail Ahmad
[QE-users] Master degree's student Abd-Elrahman Ali
[QE-users] Regarding pseudo-hydrogen pseudopotentoal Abd-Elrahman Ali
[QE-users] Output files for ph.x Appleton, Robert J
[QE-users] ph.x calculation keeps crashing Appleton, Robert J
[QE-users] Hybrid functionals using GPU accelerated QE Pietro BONFA'
[QE-users] Hybrid functionals using GPU accelerated QE Pietro BONFA'
[QE-users] Problems computing cholesky error in Ni-MoS2 system Jonathan Backman
[QE-users] Large (and seemingly random) differences between CPU and WALL time Julien Barbaud
[QE-users] dilectric constant Stefano Baroni
[QE-users] dilectric constant Stefano Baroni
[QE-users] Asking how to use VCA in semiconductor miscible alloy Stefano Baroni
[QE-users] Charge density difference Mayuri Bora
[QE-users] efield_cart value Andrey Chibisov
[QE-users] Save time in Running ph.x LEUNG Clarence
[QE-users] The phonon code with US-PP and raman or elop not yet available LEUNG Clarence
[QE-users] Charges on dopants Matteo Cococcioni
[QE-users] Structure optimization using rvv10-scan José Carlos Conesa
[QE-users] Structure optimization using rvv10-scan José Carlos Conesa
[QE-users] use of libxc functional José Carlos Conesa
[QE-users] Technical questions about calculation of exchage coupling constant J in Heisenberg model BARRETEAU Cyrille
[QE-users] Large (and seemingly random) differences between CPU and WALL time Pietro Delugas
[QE-users] FFT dominanted benchmark Pietro Delugas
[QE-users] use iotk library to read wfc*.dat in v6.4 Pietro Delugas
[QE-users] phonon frequencies at Gamma using qplot = .true. along K-Gamma-L Pietro Davide Delugas
[QE-users] [PW_forum] IFC file structure Adrien Descamps
[QE-users] Master degree's student Matthieu Fortin-Deschênes
[QE-users] dilectric constant Sabike Ghasemi
[QE-users] dilectric constant Sabike Ghasemi
[QE-users] error in phonon calaculation Sabike Ghasemi
[QE-users] norm-conserving pseudopotentials for TPSS? Paolo Giannozzi
[QE-users] No symmetry found Paolo Giannozzi
[QE-users] No symmetry found Paolo Giannozzi
[QE-users] error output of xsd data file Paolo Giannozzi
[QE-users] error output of xsd data file Paolo Giannozzi
[QE-users] error output of xsd data file Paolo Giannozzi
[QE-users] [PW_forum] IFC file structure Paolo Giannozzi
[QE-users] Problem in ph.x and epw.x (Wrong classes for C_3v) - Paolo Giannozzi
[QE-users] stress & phonon calculations with vdw_corr Paolo Giannozzi
[QE-users] Questions regarding parallelism and memory usage of ph.x calculations Paolo Giannozzi
[QE-users] error output of xsd data file Paolo Giannozzi
[QE-users] segmentation fault when writing *.save, LDA+U Paolo Giannozzi
[QE-users] Custom xc functionals Paolo Giannozzi
[QE-users] use of libxc functional Paolo Giannozzi
[QE-users] stress & phonon calculations with vdw_corr Paolo Giannozzi
[QE-users] segmentation fault when writing *.save, LDA+U Paolo Giannozzi
[QE-users] Information about non-local part of pseudopotentials Paolo Giannozzi
[QE-users] segmentation fault when writing *.save, LDA+U Paolo Giannozzi
[QE-users] Pressure dependent geometry optimization in QE Paolo Giannozzi
[QE-users] FFT dominanted benchmark Paolo Giannozzi
[QE-users] Issue using "b3lypv1r" keyword Paolo Giannozzi
[QE-users] The phonon code with US-PP and raman or elop not yet available Paolo Giannozzi
[QE-users] [SUSPECT ATTACHMENT REMOVED] RE: Hydrogen pseudopotential file error: Paolo Giannozzi
[QE-users] Error in routine cdiaghg (421) - QE 6.4.1_MKL + ELPA Paolo Giannozzi
[QE-users] issue installing qe-6.4.1 in Mac OS, "/lib/cpp fails sanity check" Paolo Giannozzi
[QE-users] Problem in ph.x and epw.x (Wrong classes for C_3v) - Gopalan, Sanjay
[QE-users] Some questions about applying external forces on atoms LU Hailin
[QE-users] SCF convergence for a large system size Manu Hegde
[QE-users] plot_num = 1 in qe-6.4.1 Manoar Hossain
[QE-users] Error in routine cdiaghg (421) - QE 6.4.1_MKL + ELPA IORI, Federico
[QE-users] starting magnetizaton & lspinorb Sahar Izadi
[QE-users] 回复: Format of filp output file in bands.x Zhou Jianqiang
[QE-users] how to generate metallic glasses through pw.x module md calculation Leonid Kahle
[QE-users] Charge density difference Leonid Kahle
[QE-users] how to generate metallic glasses through pw.x module md calculation song Kingest
[QE-users] norm-conserving pseudopotentials for TPSS? Michal Krompiec
[QE-users] norm-conserving pseudopotentials for TPSS? Michal Krompiec
[QE-users] norm-conserving pseudopotentials for TPSS? Michal Krompiec
[QE-users] Structure optimization using rvv10-scan Michal Krompiec
[QE-users] segmentation fault when writing *.save, LDA+U Sergey Lisenkov
[QE-users] [SUSPECT ATTACHMENT REMOVED] Re: segmentation fault when writing *.save, LDA+U Sergey Lisenkov
[QE-users] segmentation fault when writing *.save, LDA+U Sergey Lisenkov
[QE-users] use iotk library to read wfc*.dat in v6.4 Bruin Liu
[QE-users] norm-conserving pseudopotentials for TPSS? Giuseppe Mattioli
[QE-users] Charges in spin-polarized SCF calculations Giuseppe Mattioli
[QE-users] Structure optimization using rvv10-scan Giuseppe Mattioli
[QE-users] PBE + vdW or Grimme-D3 Giuseppe Mattioli
[QE-users] [SUSPICIOUS MESSAGE] stress & phonons calculations in organic crystals Giuseppe Mattioli
[QE-users] stress & phonon calculations with vdw_corr Giuseppe Mattioli
[QE-users] stress & phonon calculations with vdw_corr Giuseppe Mattioli
[QE-users] Regarding pseudo-hydrogen pseudopotentoal Giuseppe Mattioli
[QE-users] higher total energy in the last stage of vc-relax Kevin May
[QE-users] higher total energy in the last stage of vc-relax Kevin May
[QE-users] higher total energy in the last stage of vc-relax Kevin May
[QE-users] How to make supercell Felix Mayr
[QE-users] No symmetry found Oleksandr Motornyi
[QE-users] Problems computing cholesky error in Ni-MoS2 system Oleksandr Motornyi
[QE-users] input file for calculating the partial phonon density of state for xml file BENYAHIA NEZHA
[QE-users] Charges on dopants Marzari Nicola
[QE-users] Meaning of band plot colors. Vasilios Passias
[QE-users] error output of xsd data file Hari Paudyal
[QE-users] error output of xsd data file Hari Paudyal
[QE-users] error output of xsd data file Hari Paudyal
[QE-users] error output of xsd data file Hari Paudyal
[QE-users] phonon frequencies at Gamma using qplot = .true. along K-Gamma-L Hari Paudyal
[QE-users] Core wavefunction(Lorenzo Paulatto) Lorenzo Paulatto
[QE-users] dilectric constant Lorenzo Paulatto
[QE-users] norm-conserving pseudopotentials for TPSS? Lorenzo Paulatto
[QE-users] [PW_forum] IFC file structure Lorenzo Paulatto
[QE-users] Hydrogen pseudopotential file error: Lorenzo Paulatto
[QE-users] [SUSPECT ATTACHMENT REMOVED] RE: Hydrogen pseudopotential file error: Lorenzo Paulatto
[QE-users] Meaning of band plot colors. Junfeng Qiao
[QE-users] Hydrogen pseudopotential file error: Rajesh Raju
[QE-users] [SUSPECT ATTACHMENT REMOVED] RE: Hydrogen pseudopotential file error: Rajesh Raju
[QE-users] The phonon code with US-PP and raman or elop not yet available Arles V. Gil Rebaza
[QE-users] Structure optimization using rvv10-scan Giovani Rech
[QE-users] Structure optimization using rvv10-scan Giovani Rech
[QE-users] Hybrid functionals using GPU accelerated QE Giovani Rech
[QE-users] Hybrid functionals using GPU accelerated QE Giovani Rech
[QE-users] d-band center for ORR calculation Adimi Samira
[QE-users] issue installing qe-6.4.1 in Mac OS, "/lib/cpp fails sanity check" Schneeloch, John August (jas9db)
[QE-users] SCF convergence for a large system size Vidushi Sharma
[QE-users] Custom xc functionals A.M. Shipley
[QE-users] Questions regarding parallelism and memory usage of ph.x calculations Laurens Siemons
[QE-users] Pressure dependent geometry optimization in QE Soumyadeep
[QE-users] Pressure dependent geometry optimization in QE Soumyadeep
[QE-users] Charges in spin-polarized SCF calculations Eric Glen Suter
[QE-users] Charges on dopants Eric Glen Suter
[QE-users] Charges on dopants Eric Glen Suter
[QE-users] Self-consistency does not converge Gui Wei
[QE-users] No symmetry found Offermans Willem
[QE-users] No symmetry found Offermans Willem
[QE-users] Issue using "b3lypv1r" keyword Zack Windom
[QE-users] unknown cell_dofree ibrav error while vc-relax Yeon, Jejoon
[QE-users] Regarding pseudo-hydrogen pseudopotentoal mohaddeseh abbasnejad
[QE-users] Regarding pseudo-hydrogen pseudopotentoal mohaddeseh abbasnejad
[QE-users] Regarding pseudo-hydrogen pseudopotentoal mohaddeseh abbasnejad
[QE-users] Format of filp output file in bands.x elchatz at auth.gr
[QE-users] Regarding pseudo-hydrogen pseudopotentoal dv009200 at fh-muenster.de
[QE-users] NO2 and CO2.- radical anion relax calculation dv009200 at fh-muenster.de
[QE-users] Technical questions about calculation of exchage coupling constant J in Heisenberg model kgruszka
[QE-users] Core wavefunction(Lorenzo Paulatto) emin klc
[QE-users] Core wavefunction(Lorenzo Paulatto) emin klc
[QE-users] Information about non-local part of pseudopotentials pabel
[QE-users] Information about non-local part of pseudopotentials pabel
[QE-users] Information about non-local part of pseudopotentials pabel
[QE-users] Charges in spin-polarized SCF calculations kgruszka at wip.pcz.pl
[QE-users] higher total energy in the last stage of vc-relax mehrdad zamzamian
[QE-users] higher total energy in the last stage of vc-relax mehrdad zamzamian
[QE-users] How to make supercell 刘泽世
[QE-users] FFT dominanted benchmark 刘泽世

Last message date: Sat Jun 29 08:54:32 CEST 2019
Archived on: Sat Jun 29 08:54:45 CEST 2019

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