Re: [QE-users] Turbo_eels.x crashing

Dear Dr. Iurii, Once again , thanks for your quick reply. >>>Which version of Quantum ESPRESSO do you use? Can you try the latest >>>version (v6.8)? QE-6.7MaX >>Which compiler and libraries do you use? F90 (mpif90 wrapper). module load gcc-5.3.0 mpi/openmpi-3.0.0/gcc-5.3.0 module loa

[QE-users] Q-MS School on Multiscale Modeling with Quantum Espresso

Dear Colleagues, We are excited to announce that the Q-MS School on Multiscale Modeling in Quantum ESPRESSO will take place in hybrid format, from October 11 to 13, 2021. The school will have in person participants, but all lectures and tutorials will also be live streamed via zoom for register

[QE-users] Two posdoctoral openings - Wannier/Hubbard/Koopmans

Dear QE forum, in case someone is interested, we have two openings for postdoctoral positions in code/method development, for Wannier-based Hubbard and Koopmans functionals to run on accelerated architectures - so very suited for people with a methodological and parallel/C++ coding slant.

Re: [QE-users] BSE on top of hybrid calculation

You may also take a glance to the turbolanczos code that computes the optical properties using tddft, including hybrid functionals. Not sure if turboeels also works with hybrids. SB -- Stefano Baroni, Trieste -- swift message written and sent on the go Il giorno 5 ott 2021, alle ore 13:49, Dani

Re: [QE-users] BSE on top of hybrid calculation

Dear Ritupama, I suggest you to join the Yambo forum and post there your question: http://www.yambo-code.org/forum/ Best, Daniele > On 5 Oct 2021, at 13:02, Rituparna Hazarika > wrote: > > Respected sir/madam, > We have performed hybrid calculat

[QE-users] BSE on top of hybrid calculation

Respected sir/madam, We have performed hybrid calculation in quantum espresso to resolve the problem of band gap underestimation in DFT. Can we use the BSE method available in YAMBO on top of hybrid scf calculation to obtain the optical properties of the considered system withou

Re: [QE-users] Turbo_eels.x crashing

1. Which version of Quantum ESPRESSO do you use? Can you try the latest version (v6.8)? 2. Which compiler and libraries do you use? 3. Do you use norm-conserving or ultrasoft pseudopotentials? 4. Can you share all your input and output files (with the right cutoff etc.) and the pseudo