SternheimerGW v0.15

Citation

Martin Schlipf, Henry Lambert, Nourdine Zibouche, & Feliciano Giustino. (2018, July 6).
SternheimerGW v0.15. Zenodo. http://doi.org/10.5281/zenodo.1306442

Installation

This release of SternheimerGW goes along with the recent release of Quantum ESPRESSO 6.3 (QE), so you need to download and configure QE first.

./configure
make pw lrmods

Then you can either clone this repository into the QE directory and manually build the code. As alternative, we provide the automatic build via the Makefile of QE

make SternheimerGW

which will download this release and install it.

New in this version

• New FFT type for more consistency with Quantum Espresso.
• New possibility to increase the stability by enforcing frequency symmetry.
• Link to external analytic continuation library

SternheimerGW v0.14

Citation

Martin Schlipf, Henry Lambert, Nourdine Zibouche, & Feliciano Giustino. (2017, October 27). SternheimerGW v0.14. Zenodo. http://doi.org/10.5281/zenodo.1037798

Installation

This release of SternheimerGW goes along with the recent release of Quantum ESPRESSO 6.2 (QE), so you need to download and configure QE first.
In this version, we fully utilize the new XML schema, so that a default configuration of QE can be used.

./configure
make pw lrmods

Then you can either clone this repository into the QE directory and manually build the code. As alternative, we provide the automatic build via the Makefile of QE

make SternheimerGW

which will download this release and install it.

New in this version

• Input file redefined to make it more user friendly and fully documented on the website.
• Tutorials for silicon, lithium, BN film, and LiCl added.
• W can be plotted on the real axis after the analytic continuation.
• AAA analytic continuation added for W.

SternheimerGW v0.13

This release is an update of SternheimerGW that goes along with the recent pre-release version of Quantum ESPRESSO https://github.com/QEF/q-e/releases/tag/v6.2-beta

It includes an alignment to the new XML format, so that configuring QE with --enable-xml=no is no longer necessary.

SternheimerGW v0.12

This is the initial public release of the SternheimerGW code. While the code is already used for production calculations in our group, you may still find some glitches that we will solve until the release of v1.0.

If you want to use this code for your GW calculation, please get in touch with us so that we can assist you with problems that you encounter. We are also grateful for any bug report helping us to improve the code.

To run SternheimerGW, you need a working version of Quantum ESPRESSO. You can install SternheimerGW by creating a directory SternheimerGW in the main directory of Quantum ESPRESSO and unpacking the archive there. Change to the source directory SternheimerGW/src/ and run make. Note that you must configure Quantum ESPRESSO with --enable-xml=no to run SternheimerGW.