[ trixie ]
[ sid ]
[ Source: quantum-espresso-data-sssp ]
Paketti: quantum-espresso-data-sssp (1.3.0-2)
Links for quantum-espresso-data-sssp
Debian-palvelut:
Imuroi lähdekoodipaketti quantum-espresso-data-sssp:
- [quantum-espresso-data-sssp_1.3.0-2.dsc]
- [quantum-espresso-data-sssp_1.3.0.orig.tar.gz]
- [quantum-espresso-data-sssp_1.3.0-2.debian.tar.xz]
Ylläpitäjät:
- Debian PaN Maintainers (Laadunvalvontasivu)
- Debian Science Maintainers (Laadunvalvontasivu, Mail Archive)
- Roland Mas (Laadunvalvontasivu)
External Resources:
- Kotisivu [www.materialscloud.org]
Samankaltaisia paketteja:
Standard solid-state pseudopotentials (SSSP) library
The convergence pattern of each element includes for each of the considered family:
- the total number of electrons in the valence, Z; - delta value (the error in the equation of state compared with all-electron WIEN2k results, developed by Cottenier group), at full converged cutoff; - the largest phonon frequency, ωmax, at the zone boundary (as a number), at full cutoff; - and then as a function of wave function cutoff: - the discrepancy of all phonon frequencies, δω̄, at the zone boundary, with respect to the converged value; - the convergence of the pressure, δVpress, with respect to the converged value; - the convergence of the cohesive energy, δEcoh, with respect to the converged value; - the convergence of the bands structure, η10 and max η10 with respect to the converged value.
Imuroi quantum-espresso-data-sssp
Arkkitehtuuri | Paketin koko | Koko asennettuna | Tiedostot |
---|---|---|---|
all | 42,009.2 kt | 162,472.0 kt | [tiedostoluettelo] |