Commit 6cff3585 authored by Andrew Emerson's avatar Andrew Emerson
Browse files

New medium test case

parent fe548063
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Generated using FHI98PP, converted with fhi2upf.x v.5.0.2
Origin: Abinit web site
Date: 08-Sep-2012 (PG)
Pseudopotential type: SL
Element: O
Functional: PBE
Suggested minimum cutoff for wavefunctions: 0. Ry
Suggested minimum cutoff for charge density: 0. Ry
The Pseudo was generated with a Scalar-Relativistic Calculation
L component and cutoff radius for Local Potential: 2 0.0000
Valence configuration:
nl pn l occ Rcut Rcut US E pseu
2s 2 0 2.00 0.000 0.000 0.000000
2p 2 1 4.00 0.000 0.000 0.000000
3d 3 2 0.00 0.000 0.000 0.000000
4f 4 3 0.00 0.000 0.000 0.000000
Generation configuration: not available.
Comment:
oxygen, fhi98PP : Trouiller-Martins-type, GGA Perdew/Burke/Ernzerhof (1996), l=
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author="unknown"
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core_correction="F"
functional="PBE"
z_valence="6.000000000000000E+000"
total_psenergy="0.000000000000000E+000"
wfc_cutoff="0.000000000000000E+000"
rho_cutoff="0.000000000000000E+000"
l_max="3"
l_max_rho="0"
l_local="2"
mesh_size="473"
number_of_wfc="4"
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