Difference between revisions of "Yambo 2016"
Schwietzer (talk | contribs) (Created page with "== Introduction == YAMBO implements Many-Body Perturbation Theory (MBPT) methods (such as GW and BSE) and Time-Dependent Density Functional Theory (TDDFT), which allows for ac...") |
Schwietzer (talk | contribs) |
||
| Line 9: | Line 9: | ||
*'''Yambo/5.0.2'''-intel-2019b | *'''Yambo/5.0.2'''-intel-2019b | ||
== Loading / Using | == Loading / Using Yambo== | ||
To load the desired version of the module, use the ''module load'' command, e.g. | To load the desired version of the module, use the ''module load'' command, e.g. | ||
module load hpc-env/8.3 | module load hpc-env/8.3 | ||
module load | module load Yambo | ||
Always remember: this command is case sensitive! | Always remember: this command is case sensitive! | ||
After loading the Yambo module, yambo and its associated executables (<tt>a2y, c2y, p2y, ypp</tt>) 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 <tt> mpirun -np <threads> <executable> </tt>, for example like this: | |||
mpirun -np 4 yambo | |||
Revision as of 08:04, 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. [ http://www.yambo-code.org/ 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
Documentation
The full documentation can be found [ here].
