Generated using "atomic" code by A. Dal Corso (espresso distribution)
Author: Matteo Calandra Generation date: 20Jun2008
Sih
0 The Pseudo was generated with a Non-Relativistic Calculation
0 2.2000000E+00 L component and cutoff radius for Local Potential
nl pn l occ Rcut Rcut US E pseu
3P 2 1 1.00 2.20000000000 2.20000000000 -1.79801035535
3D 3 2 0.00 2.20000000000 2.20000000000 -0.89704377735
3S 1 0 2.00 2.20000000000 2.20000000000 -2.43709512193
Norm-conserving pseudopotential with two gipaw projectors per
s, p and d channel. A core-hole in the 1s state is present.
This pseudopotential has been used to calculate
Si K-edge spectra of SiO2 (alpha-quartz) with
a core-hole in the final state using the XSPECTRA
code.
Results with this pseudopotential are published in
"First-principles calculations of x-ray absorption in a scheme
based on ultrasoft pseudopotentials: From alpha-quartz to
high-Tc compounds",
Christos Gougoussis, Matteo Calandra, Ari P. Seitsonen, and Francesco Mauri
Phys. Rev. B 80, 075102 (2009)
http://link.aps.org/doi/10.1103/PhysRevB.80.075102