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<UPF version="2.0.0">
<PP_INFO>
Generated using "atomic" code by A. Dal Corso (espresso distribution)
Author: "Lorenzo Paulatto" /paulatto@sissa.it/
Generation date: 3Mar2009
Pseudopotential type: PAW
Element: Ir
Functional: SLA PW PBX PBC
Suggested minimum cutoff for wavefunctions: 22. Ry
Suggested minimum cutoff for charge density: 88. Ry
The Pseudo was generated with a Scalar-Relativistic Calculation
Local Potential according to Troullier-Martins recipe, cutoff radius: 2.3500
Valence configuration:
nl pn l occ Rcut Rcut US E pseu
5D 3 2 7.00 1.000 2.350 -0.525237
6S 1 0 2.00 1.000 2.550 -0.465283
6P 2 1 0.00 1.000 2.650 -0.089351
Generation configuration:
5D 3 2 7.00 1.000 2.350 -0.525311
5D 3 2 0.00 1.000 2.350 -0.400000
6S 1 0 2.00 1.000 2.550 -0.465315
6S 1 0 0.00 1.000 2.550 0.800000
6P 2 1 0.00 1.000 2.650 -0.089370
6P 2 1 0.00 1.000 2.650 1.500000
Pseudization used: troullier-martins
</PP_INFO>
<!-- -->
<!-- END OF HUMAN READABLE SECTION -->
<!-- -->
<PP_HEADER generated='Generated using "atomic" code by A. Dal Corso (espresso distribution)'
author='"Lorenzo Paulatto" <paulatto@sissa.it>'
date=" 3Mar2009"
comment=""
element="Ir"
pseudo_type="PAW"
relativistic="scalar"
is_ultrasoft="T"
is_paw="T"
is_coulomb="F"
has_so="F"
has_wfc="T"
has_gipaw="F"
core_correction="F"
functional=" SLA PW PBX PBC "
z_valence="9.000000000000000E+000"
total_psenergy="-7.208697527412992E+002"
wfc_cutoff="2.209227748832058E+001"
rho_cutoff="8.836910995328233E+001"
l_max="2"
l_max_rho="4"
l_local="-2"
mesh_size="1277"
number_of_wfc="3"
number_of_proj="6"/>
<PP_MESH dx="1.250000000000000E-002" mesh="1277" xmin="-7.000000000000000E+000" rmax="1.000000000000000E+002"
zmesh="7.700000000000000E+001">
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