October 2019 Archives by author

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Starting: Tue Oct 1 10:45:50 CEST 2019
Ending: Thu Oct 31 10:18:24 CET 2019
Messages: 154

[QE-users] users Digest, Vol 146, Issue 20 Haider Abbas
[QE-users] qi in turbo_eels Masum Alihosseini
[QE-users] [SUSPECT ATTACHMENT REMOVED] error opening xml data file Maxim Arsentev
[QE-users] from pw_readfile : error # 1, error opening xml data file Maxim Arsentev
[QE-users] from pw_readfile : error # 1, error opening xml data file (too heavy task) Maxim Arsentev
[QE-users] low band gap for heavy element containing compound Maxim Arsentev
[QE-users] Band structure with hybrid functionals Vahid Askarpour
[QE-users] Band structure with hybrid functionals Vahid Askarpour
[QE-users] Band structure with hybrid functionals Vahid Askarpour
[QE-users] K points in QE-6.4.1 Sayan Banerjee
[QE-users] CFP :International Journal of Recent advances in Physics (IJRAP) November 2019, Volume 8, Number 4 Stefano Baroni
[QE-users] epsilon.x returns infinity and NAN in epsr and epsi Anibal Bezerra
[QE-users] Epsilon.x - metalcalc variable. Anibal Bezerra
[QE-users] Projwfc issue Anibal Bezerra
[QE-users] How to plot phonon band structure with LO-TO splitting Dr. K. C. Bhamu
[QE-users] users Digest, Vol 147, Issue 13 Mayuri Bora
[QE-users] band convergece problem in charged system Thomas Brumme
[QE-users] weird errors when linking with libxc José Carlos Conesa Cegarra
[QE-users] input file format for earlier QE versions José Carlos Conesa Cegarra
[QE-users] low band gap for heavy element containing compound Andrey Chibisov
[QE-users] unit of noncollinear magnetization and exchange correlation magnetic field Andrey Chibisov
[QE-users] QE for KGEC LEUNG Clarence
[QE-users] Error in installation of QE6.0 LEUNG Clarence
[QE-users] Constraints linear geometry Julien Claudot
[QE-users] What Is Estimated SCF Accuracy Ben Comer
[QE-users] Increasing NSX Problems? Ben Comer
[QE-users] On the use of the modified Becke-Johnson (TB09) functional Fabio Costa
[QE-users] On the use of the modified Becke-Johnson (TB09) functional Fabio Costa
[QE-users] ld1.x ERROR(FoX) Cannot open file Pietro Delugas
[QE-users] K points in QE-6.4.1 Pietro Delugas
[QE-users] NEB calculation issue with 'fixed' atoms Pietro Delugas
[QE-users] Projwfc issue Pietro Delugas
[QE-users] Installing QE_GPU Pietro Davide Delugas
[QE-users] weird errors when linking with libxc Fabrizio Ferrari
[QE-users] On the use of the modified Becke-Johnson (TB09) functional Fabrizio Ferrari
[QE-users] Computational School on Electronic Excitations in Novel Materials Using the Yambo Code Andrea Ferretti
[QE-users] Calculate el-ph interactions from external IFCs Hao Gao
[QE-users] from pw_readfile : error # 1, error opening xml data file Paolo Giannozzi
[QE-users] Post-Doc in QE development Paolo Giannozzi
[QE-users] Problems with forc_conv_thr. Paolo Giannozzi
[QE-users] Computer dependent phonon frequencies Paolo Giannozzi
[QE-users] Computer dependent phonon frequencies Paolo Giannozzi
[QE-users] Problem with electrostatic potential computation Paolo Giannozzi
[QE-users] Fwd: a weird problem to run pw.x in QE6.4.1 Paolo Giannozzi
[QE-users] Some issues with QE 6.4.1 Paolo Giannozzi
[QE-users] NV0 Center - Absolute Magnetization Paolo Giannozzi
[QE-users] Constraints linear geometry Paolo Giannozzi
[QE-users] On the use of the modified Becke-Johnson (TB09) functional Paolo Giannozzi
[QE-users] K points in QE-6.4.1 Paolo Giannozzi
[QE-users] input file format for earlier QE versions Paolo Giannozzi
[QE-users] High k-point density memory estimates Paolo Giannozzi
[QE-users] users Digest, Vol 146, Issue 20 Paolo Giannozzi
[QE-users] [SUSPECT ATTACHMENT REMOVED] Floating underflow in QE6.4.1 under Linux when running examples Paolo Giannozzi
[QE-users] Gamma point phonon calculation is not consistent Paolo Giannozzi
[QE-users] QE for KGEC Paolo Giannozzi
[QE-users] unit of dynamical matrix Stefano de Gironcoli
[QE-users] 回复： unit of dynamical matrix Stefano de Gironcoli
[QE-users] What Is Estimated SCF Accuracy Stefano de Gironcoli
[QE-users] a.u. force conversion Stefano de Gironcoli
[QE-users] Negative dr2 error in DFT+U Dominik Gresch
[QE-users] Band structure with hybrid functionals Dominik Gresch
[QE-users] Band structure with hybrid functionals Dominik Gresch
[QE-users] Band structure with hybrid functionals Dominik Gresch
[QE-users] Negative dr2 error in DFT+U Timrov Iurii
[QE-users] qi in turbo_eels Timrov Iurii
[QE-users] LDA+U U value calculation Timrov Iurii
[QE-users] Regarding initialization of elastic constants for NEB code Jana, Soumyajit
[QE-users] Regarding initialization of elastic constants for NEB code Jana, Soumyajit
[QE-users] Regarding initialization of elastic constants for NEB code Jana, Soumyajit
[QE-users] PP.x plot screening and xc Antoine Jay
[QE-users] 回复: Degauss vlaue Zhou Jianqiang
[QE-users] 回复: degauss and smearing Zhou Jianqiang
[QE-users] Computer dependent phonon frequencies Leonid Kahle
[QE-users] Regarding initialization of elastic constants for NEB code Tone Kokalj
[QE-users] New XCRYSDEN version: 1.6.2 Tone Kokalj
[QE-users] force constant David Kostov
[QE-users] force constant David Kostov
[QE-users] force constant David Kostov
[QE-users] force constant David Kostov
[QE-users] force constant David Kostov
[QE-users] force constant David Kostov
[QE-users] Problem with SOC David Kostov
[QE-users] from pw_readfile : error # 1, error opening xml data file (too heavy task) Sonu Kumar
[QE-users] IR and RAMAN using Q.E. code. Vipin Kumar
[QE-users] Strange frequencies hard to interpret Jibiao Li
[QE-users] Computer dependent phonon frequencies Jibiao Li
[QE-users] Computer dependent phonon frequencies Jibiao Li
[QE-users] zero-point energy (ZPE) correction Jibiao Li
[QE-users] [SUSPECT ATTACHMENT REMOVED] Floating underflow in QE6.4.1 under Linux when running examples Matthew Marcus
[QE-users] Can QE be used to compute electronic conductance of explosive gas products? Dick Martin
[QE-users] Can QE be used to compute electronic conductance of explosive gas products? Dick Martin
[QE-users] visualising vibrations from the results of phonon calculations Nicola Marzari
[QE-users] degauss and smearing Nicola Marzari
[QE-users] Two doctoral/postdoctoral positions, THEOS at EPFL Nicola Marzari
[QE-users] Scaling factor for Matic
[QE-users] Question about Quantum Espresso Giuseppe Mattioli
[QE-users] NEB calculation issue with 'fixed' atoms Giuseppe Mattioli
[QE-users] Fwd: a weird problem to run pw.x in QE6.4.1 Mohammad Moaddeli
[QE-users] Installing QE_GPU Mohammad Moaddeli
[QE-users] Problems with forc_conv_thr. Vasilios Passias
[QE-users] Problem with electrostatic potential computation Abhirup Patra
[QE-users] Problem with electrostatic potential computation Abhirup Patra
[QE-users] Fwd: a weird problem to run pw.x in QE6.4.1 Hari Paudyal
[QE-users] units of q points in matdyn.in files to calculate phonon dispersion Hari Paudyal
[QE-users] Relaxation of Tungsten disulfide (WS2) Lorenzo Paulatto
[QE-users] force constant Lorenzo Paulatto
[QE-users] force constant Lorenzo Paulatto
[QE-users] force constant Lorenzo Paulatto
[QE-users] force constant Lorenzo Paulatto
[QE-users] NEB calculation issue with 'fixed' atoms Laurent Pizzagalli
[QE-users] NEB calculation issue with 'fixed' atoms Laurent Pizzagalli
[QE-users] NEB calculation issue with 'fixed' atoms Laurent Pizzagalli
[QE-users] Band structure with hybrid functionals Giovanni Pizzi
[QE-users] Some issues with QE 6.4.1 Ranasinghe, Jayangani
[QE-users] Problem with Plotting Fermi Surfaces Shima Sharifi
[QE-users] Problem with Plotting Fermi Surfaces Shima Sharifi
[QE-users] Relaxation of Tungsten disulfide (WS2) Ankit Sirohi
[QE-users] Relaxation of Tungsten disulfide (WS2) Ankit Sirohi
[QE-users] Building a 2D crystal. Ankit Sirohi
[QE-users] NV0 Center - Absolute Magnetization Brendan Smith
[QE-users] a.u. force conversion Robert Stanton
[QE-users] High k-point density memory estimates Eric Glen Suter
[QE-users] Scaling factor for Siebe Vanlommel
[QE-users] Scaling factor for Siebe Vanlommel
[QE-users] Degauss vlaue Pooja Vyas
[QE-users] degauss and smearing Pooja Vyas
[QE-users] Question about Quantum Espresso Pooja Vyas
[QE-users] zero-point energy (ZPE) correction Weitzner, Stephen Eric
[QE-users] ld1.x ERROR(FoX) Cannot open file Offermans Willem
[QE-users] ld1.x ERROR(FoX) Cannot open file Offermans Willem
[QE-users] Scaling factor for Offermans Willem
[QE-users] NV0 Center - Absolute Magnetization Christoph Wolf
[QE-users] problems converging a SOC magnetization in a molecule Christoph Wolf
[QE-users] band convergece problem in charged system Leo Yang
[QE-users] LDA+U U value calculation Leo Yang
[QE-users] band convergece problem in charged system Leo Yang
[QE-users] Question regarding resource control for QE calculation Yeon, Jejoon
[QE-users] Regarding Electron - phonon interaction mohaddeseh abbasnejad
[QE-users] CFP :International Journal of Recent advances in Physics (IJRAP) November 2019, Volume 8, Number 4 jin soo
[QE-users] Calculation of Charge transfer l.eslami at srbiau.ac.ir
[QE-users] zero-point energy (ZPE) correction thorgalg
[QE-users] zero-point energy (ZPE) correction thorgalg
[QE-users] ZPE correction thorgalg
[QE-users] units of q points in matdyn.in files to calculate phonon dispersion w
[QE-users] Phonon modes mistakes wang1968000
[QE-users] Gamma point phonon calculation is not consistent wang1968000
[QE-users] Dissociation energy of vacancies in solids mehrdad zamzamian
[QE-users] unit of dynamical matrix 涉旭
[QE-users] 回复： unit of dynamical matrix 涉旭
[QE-users] 回复： unit of dynamical matrix 涉旭
[QE-users] 回复：回复： unit of dynamical matrix 涉旭
[QE-users] 回复： unit of dynamical matrix 涉旭
[QE-users] Fwd: a weird problem to run pw.x in QE6.4.1 王宏伟
[QE-users] Energy corrections for adsorption study of hydrogen molecule ‍강동우[학생](대학원 화학공학과)

Last message date: Thu Oct 31 10:18:24 CET 2019
Archived on: Thu Oct 31 10:19:09 CET 2019

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