3.2.2 version of the program for Many-Body calculations in solid state and molecular physics.
Informazio orokorra
Yambo relies on the Kohn-Sham wavefunctions generated by two DFT public codes: [intlink id=”1659″ type=”post”]abinit[/intlink] and [intlink id=”1627″ type=”post”]PWscf (espresso)[/intlink]. Previous to its release under the GPL license, yambo was known as SELF.
Features:
- Quasiparticle energies within the GW approximation.
- Electron loss and optical absorption spectra of solids, and dynamical polarizability of molecules at different level of theory.
- Random Phase Approximation Time Dependent Local Density Approximation Bethe-Salpeter equation.
a2y, p2y y yambo programetaz osatuta dago. Paralelizazioarekin eta NetCDFHa konpilatuta izan da (opteronetan Netcdf gabe).
Nola erabili:
Bertsio paraleloa exekutatzeko nahika da [intlink id=”661″ type=”post”]Torqueko[/intlink] scriptetan gehitzea adibidez:
/software/bin/yambo/a2y -F input_file_KSS /software/bin/yambo/yambo -F input_file
Penduloko oharra: Erabili aurreko adibidetan bezala. Pendulon fitxero guztiak torqueko scripta bidaltzen den direktorioan egon behar dira, kopiatu base datuak hor eta gero torqueko scriptean scratchean sortu SAVE direktorioa eta horra mugitu.