Difference between revisions of "Yambo 2016"
Schwietzer (talk | contribs) |
Schwietzer (talk | contribs) |
||
| Line 36: | Line 36: | ||
* [http://dx.doi.org/10.1016/j.cpc.2009.02.003 Yambo: an ab initio tool for excited state calculations], Andrea Marini, Conor Hogan, Myrta Grüning, Daniele Varsano, Comp. Phys. Comm. 144, 180 (2009). | * [http://dx.doi.org/10.1016/j.cpc.2009.02.003 Yambo: an ab initio tool for excited state calculations], Andrea Marini, Conor Hogan, Myrta Grüning, Daniele Varsano, Comp. Phys. Comm. 144, 180 (2009). | ||
Check the Yambo researcher ID page for citation information. | Check the Yambo researcher ID page for citation information." [http://www.yambo-code.org/wiki/index.php?title=Main_Page#Cite_us ²] | ||
</blockquote> | </blockquote> | ||
== Documentation == | == Documentation == | ||
The developers created a very elaborate wiki including tutorials for learning and using Yambo. You you can find the wiki entry page [http://www.yambo-code.org/wiki/index.php?title=Main_Page here]. <br/> | The developers created a very elaborate wiki including tutorials for learning and using Yambo. You you can find the wiki entry page [http://www.yambo-code.org/wiki/index.php?title=Main_Page here]. <br/> | ||
You can find the softwares main page [http://www.yambo-code.org/ here | You can find the softwares main page [http://www.yambo-code.org/ here] | ||
<tt> </tt> | <tt> </tt> | ||
Revision as of 09:12, 26 May 2021
Introduction
YAMBO implements Many-Body Perturbation Theory (MBPT) methods (such as GW and BSE) and Time-Dependent Density Functional Theory (TDDFT), which allows for accurate prediction of fundamental properties as band gaps of semiconductors, band alignments, defect quasi-particle energies, optics and out-of-equilibrium properties of materials. ¹
Installed version(s)
The following versions are installed and currently available on environment hpc-env/8.3:
- Yambo/5.0.2-intel-2019b
Loading / Using Yambo
To load the desired version of the module, use the module load command, e.g.
module load hpc-env/8.3 module load Yambo
Always remember: this command is case sensitive!
After loading the Yambo module, yambo and its associated executables (a2y, c2y, p2y, ypp) can be called from within every directory. But since the software package was installes with intel MPI to ensure parallel computing, you must call the desired executables with mpirun -np <threads> <executable> , for example like this:
mpirun -np 4 yambo
Start Working with Yambo: Quick Tutorial
Cite Yambo
The yambo team kindly asks everyone who uses yambo to cite theyr work about yambo as well, which we think is a very supportable request for reasons of scientific fairness.
Theyr quote:
"Cite us
It is scientifically fair to cite the two following articles in any publication based on results obtained with Yambo
- Many-body perturbation theory calculations using the yambo code, Davide Sangalli and Andrea Ferretti and Henrique Miranda and Claudio Attaccalite and Ivan Marri and Elena Cannuccia and Pedro Miguel Melo and Margherita Marsili and Fulvio Paleari and Antimo Marrazzo and Gianluca Prandini and Pietro Bonf\`a and Michael O Atambo and Fabio Affinito and Maurizia Palummo and Alejandro Molina Sanchez and Conor Hogan and Myrta Gr\xFCning and Daniele Varsano and Andrea Marini, Journal of Physics: Condensed Matter 31, 325902 (2019).
- Yambo: an ab initio tool for excited state calculations, Andrea Marini, Conor Hogan, Myrta Grüning, Daniele Varsano, Comp. Phys. Comm. 144, 180 (2009).
Check the Yambo researcher ID page for citation information." ²
Documentation
The developers created a very elaborate wiki including tutorials for learning and using Yambo. You you can find the wiki entry page here.
You can find the softwares main page here
