/usr/share/espresso/pseudo/C.pz-kjpaw.UPF is in quantum-espresso-data 6.0-3.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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9222 9223 9224 9225 9226 9227 9228 9229 9230 9231 9232 9233 9234 9235 9236 9237 9238 9239 9240 9241 9242 9243 9244 9245 9246 9247 9248 9249 9250 9251 9252 9253 9254 9255 9256 9257 9258 9259 9260 9261 9262 9263 9264 9265 9266 9267 9268 9269 9270 9271 9272 9273 9274 9275 9276 9277 9278 9279 9280 9281 9282 9283 9284 9285 9286 9287 9288 9289 9290 9291 9292 9293 9294 9295 9296 9297 9298 9299 9300 9301 9302 9303 9304 9305 9306 9307 9308 9309 9310 9311 9312 9313 9314 9315 9316 9317 9318 9319 9320 | <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: 24Sep2008
Pseudopotential type: PAW
Element: C
Functional: SLA PZ NOGX NOGC
Suggested minimum cutoff for wavefunctions: 37. Ry
Suggested minimum cutoff for charge density: 147. Ry
The Pseudo was generated with a Non-Relativistic Calculation
L component and cutoff radius for Local Potential: 2 1.1000
Valence configuration:
nl pn l occ Rcut Rcut US E pseu
2S 1 0 2.00 1.000 1.300 -1.001950
2P 2 1 2.00 1.000 1.450 -0.398599
Generation configuration:
2S 1 0 2.00 1.000 1.300 -1.001950
2S 1 0 0.00 1.000 1.300 0.050000
2P 2 1 2.00 1.000 1.450 -0.398599
2P 2 1 0.00 1.000 1.450 0.050000
3D 3 2 -2.00 1.100 1.100 0.100000
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="24Sep2008"
comment=""
element=" C"
pseudo_type="PAW"
relativistic="no"
is_ultrasoft="T"
is_paw="T"
is_coulomb="F"
has_so="F"
has_wfc="T"
has_gipaw="F"
core_correction="T"
functional=" SLA PZ NOGX NOGC"
z_valence="4.000000000000000E+000"
total_psenergy="-1.706902632738841E+001"
wfc_cutoff="3.671436379881764E+001"
rho_cutoff="1.468574551952706E+002"
l_max="1"
l_max_rho="2"
l_local="2"
mesh_size="1073"
number_of_wfc="2"
number_of_proj="4"/>
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zmesh="6.000000000000000E+000">
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