November 2019 Archives by date
Starting: Fri Nov 1 05:36:03 CET 2019
Ending: Wed Nov 27 16:58:46 CET 2019
Messages: 127
- [QE-users] Error in interploation of IFCs by matdyn.x
Hao Gao
- [QE-users] Fw: Problem with SOC
David Kostov
- [QE-users] Fw: Problem with SOC
Guido Menichetti
- [QE-users] DFT + U not working on Sn 4d
후신 부지드
- [QE-users] charge is wrong: smearing is needed
Mohamed Ahmed Abd-Elati
- [QE-users] charge is wrong: smearing is needed
Ari P Seitsonen
- [QE-users] Problem using ph.x with DFPT+U in QE 6.4(.1)
Shenli Zhang
- [QE-users] relation between Hubbard-U and core charge?
Malte Sachs
- [QE-users] DFT + U not working on Sn 4d
Ari P Seitsonen
- [QE-users] Error in interploation of IFCs by matdyn.x
Lorenzo Paulatto
- [QE-users] Plotting a 3D band plot using Quantum Espresso
Vasilios Passias
- [QE-users] How to plot phonon band structure with LO-TO splitting
Lorenzo Paulatto
- [QE-users] How to plot phonon band structure with LO-TO splitting
Dr. K. C. Bhamu
- [QE-users] compiling GPU enabled version of QE: q-e-gpu-qe-gpu-6.4.1a1.tar.gz
Mohammad Moaddeli
- [QE-users] How to plot phonon band structure with LO-TO splitting
Dr. K. C. Bhamu
- [QE-users] How to plot phonon band structure with LO-TO splitting
Lorenzo Paulatto
- [QE-users] users Digest, Vol 148, Issue 3
Hussain Ali
- [QE-users] DFT + U not working on Sn 4d
Matteo Cococcioni
- [QE-users] ERROR(FoX), Cannot open file
Ben Comer
- [QE-users] ERROR(FoX), Cannot open file
Pietro Davide Delugas
- [QE-users] users Digest, Vol 148, Issue 3
Pietro Davide Delugas
- [QE-users] ERROR(FoX), Cannot open file
Ben Comer
- [QE-users] ERROR(FoX), Cannot open file
Paolo Giannozzi
- [QE-users] Fw: Problem with SOC
David Kostov
- [QE-users] Fw: Problem with SOC
Guido Menichetti
- [QE-users] users Digest, Vol 148, Issue 4
Mayuri Bora
- [QE-users] DFT + U not working on Sn 4d
후신 부지드
- [QE-users] Calculate phonons only at the interface
Christian helman
- [QE-users] Calculate phonons only at the interface
Hari Paudyal
- [QE-users] Calculate phonons only at the interface
thorgalg
- [QE-users] Fw: Problem with SOC
David Kostov
- [QE-users] ERROR(FoX), Cannot open file
Ben Comer
- [QE-users] ERROR(FoX), Cannot open file
Paolo Giannozzi
- [QE-users] users Digest, Vol 148, Issue 4
Mayuri Bora
- [QE-users] ERROR(FoX), Cannot open file
Paolo Giannozzi
- [QE-users] ERROR(FoX), Cannot open file
Ben Comer
- [QE-users] On the use of the modified Becke-Johnson (TB09) functional
Fabio Costa
- [QE-users] [SUSPECT ATTACHMENT REMOVED] Re:Re: Error in interploation of IFCs by matdyn.x
Hao Gao
- [QE-users] Calculate phonons only at the interface
Christian helman
- [QE-users] Calculate phonons only at the interface
Hari Paudyal
- [QE-users] Fourier Interpolation of Phonon Bandstructure
Ankit Sharma
- [QE-users] ERROR(FoX), Cannot open file
Ben Comer
- [QE-users] MPI python
Anuja Chanana
- [QE-users] MPI python
Offermans Willem
- [QE-users] Error in routine cdiaghg (1590): S matrix not positive definite
Jibiao Li
- [QE-users] On the use of the modified Becke-Johnson (TB09) functional
Fabrizio Ferrari
- [QE-users] Calculate phonons only at the interface
Paolo Giannozzi
- [QE-users] end-of-file fortran error in gipaw nmr calculation
Siebe Vanlommel
- [QE-users] Pressure/Stress in vc-relax calculation
Inna Martha Nangoi
- [QE-users] Question about NEB
Yeon, Jejoon
- [QE-users] [Pw_forum] input file for isolated atom
Ajmal Ghan
- [QE-users] Magnetic anisotropy energy in magnetic insulators
Sitangshu Bhattacharya
- [QE-users] Magnetic anisotropy energy in magnetic insulators
Sitangshu Bhattacharya
- [QE-users] CP simulation constant of motion increases on thermostatting of electrons
Rashid Rafeek V Valappil
- [QE-users] [Pw_forum] input file for isolated atom
Ari P Seitsonen
- [QE-users] Magnetic anisotropy energy in magnetic insulators
Christoph Wolf
- [QE-users] Magnetic anisotropy energy in magnetic insulators
BARRETEAU Cyrille
- [QE-users] xml parser for data-file-schema.xml in qe
Sonu Kumar
- [QE-users] xml parser for data-file-schema.xml in qe
Pietro Davide Delugas
- [QE-users] [Pw_forum] input file for isolated atom
Ajmal Ghan
- [QE-users] [Pw_forum] input file for isolated atom
Giuseppe Mattioli
- [QE-users] xml parser for data-file-schema.xml in qe
Sonu Kumar
- [QE-users] On the use of the modified Becke-Johnson (TB09) functional
Fabrizio Ferrari
- [QE-users] [Pw_forum] input file for isolated atom
Ajmal Ghan
- [QE-users] [Pw_forum] input file for isolated atom
Yves Ferro
- [QE-users] Problem using ph.x with DFPT+U in QE 6.4.(1)
Shenli Zhang
- [QE-users] Problem using ph.x with DFPT+U in QE 6.4.(1)
Timrov Iurii
- [QE-users] How to know if all pseudo potentials are normconserving
John McFarland
- [QE-users] How to know if all pseudo potentials are normconserving
Paolo Giannozzi
- [QE-users] Problem using ph.x with DFPT+U in QE 6.4.(1)
Shenli Zhang
- [QE-users] Problem using ph.x with DFPT+U in QE 6.4.(1)
Paolo Giannozzi
- [QE-users] Problem using ph.x with DFPT+U in QE 6.4.(1)
Timrov Iurii
- [QE-users] Inconsistency of atomic species in neb.x calculations
Mladenovic Marko
- [QE-users] Inconsistency of atomic species in neb.x calculations
Giuseppe Mattioli
- [QE-users] Inconsistency of atomic species in neb.x calculations
Mladenovic Marko
- [QE-users] Problem using ph.x with DFPT+U in QE 6.4.(1)
Paolo Giannozzi
- [QE-users] Problem using ph.x with DFPT+U in QE 6.4.(1)
Shenli Zhang
- [QE-users] Problem using ph.x with DFPT+U in QE 6.4.(1)
Timrov Iurii
- [QE-users] post-doc position @ Gemmate Technologies srl
Giuseppe Mattioli
- [QE-users] Fwd: How to use software.
GAMERS STREAM
- [QE-users] Post-Doc position @CNR-NANO Pisa (Italy)
Guido Menichetti
- [QE-users] What is the optimum conv_thr for MAE calculation
후신 부지드
- [QE-users] Question on output
Pablo García Risueño
- [QE-users] What is the optimum conv_thr for MAE calculation
Christoph Wolf
- [QE-users] Question on 2D materials'phonons
w
- [QE-users] GRID setup calculation produces no output, stops early.
M.J. Hutcheon
- [QE-users] Question on output
Paolo Giannozzi
- [QE-users] GRID setup calculation produces no output, stops early.
Paolo Giannozzi
- [QE-users] GRID setup calculation produces no output, stops early.
M.J. Hutcheon
- [QE-users] Question on output
Pablo García Risueño
- [QE-users] quantum espresso
GAMERS STREAM
- [QE-users] quantum espresso
Will DeBenedetti
- [QE-users] quantum espressso
GAMERS STREAM
- [QE-users] how to make scf input file
GAMERS STREAM
- [QE-users] [Pw_forum] input file for isolated atom
Ajmal Ghan
- [QE-users] how to make scf input file
Ajmal Ghan
- [QE-users] error in cppp.x
Hussain Ali
- [QE-users] error in cppp.x
Pietro Delugas
- [QE-users] quantum espressso
Giovanni Cantele
- [QE-users] subspace diagonalization in QE-6.4.1
Manoel VF Barrionuevo
- [QE-users] error in hp.x
Bin Shao
- [QE-users] error in hp.x
Paolo Giannozzi
- [QE-users] error in hp.x
Bin Shao
- [QE-users] Images in signature
Paolo Giannozzi
- [QE-users] error in hp.x
Paolo Giannozzi
- [QE-users] error in hp.x
Bin Shao
- [QE-users] Convergency problem
Ganes Shukri
- [QE-users] Convergency problem
Giovanni Cantele
- [QE-users] create scf.in file
GAMERS STREAM
- [QE-users] create scf.in file
Will DeBenedetti
- [QE-users] Quantum espresso installation problem in MAC
Kanka Ghosh
- [QE-users] [SUSPICIOUS MESSAGE] strange behavior of assume_isolated = 'esm' in QE 6.4.1
Giuseppe Mattioli
- [QE-users] Quantum espresso installation problem in MAC
Will DeBenedetti
- [QE-users] Quantum espresso installation problem in MAC
Paolo Giannozzi
- [QE-users] convergence of hp.x
Gaoxue Wang
- [QE-users] convergence of hp.x
Timrov Iurii
- [QE-users] convergence of hp.x
Gaoxue Wang
- [QE-users] convergence of hp.x
Timrov Iurii
- [QE-users] Size of the temporary files
Jatin Kashyap
- [QE-users] Size of the temporary files
Paolo Giannozzi
- [QE-users] Size of the temporary files
Paolo Giannozzi
- [QE-users] Quantum espresso installation problem in MAC
Kanka Ghosh
- [QE-users] Quantum espresso installation problem in MAC
Kanka Ghosh
- [QE-users] Quantum espresso installation problem in MAC
Paolo Giannozzi
- [QE-users] Improve convergence with noncollinear calculation
Christoph Wolf
- [QE-users] Quantum espresso installation problem in MAC
Ye Luo
- [QE-users] Quantum espresso installation problem in MAC
Mejia Rodriguez, Daniel
Last message date:
Wed Nov 27 16:58:46 CET 2019
Archived on: Wed Nov 27 16:57:50 CET 2019
This archive was generated by
Pipermail 0.09 (Mailman edition).