mirror of https://gitlab.com/QEF/q-e.git
948 lines
85 KiB
Plaintext
948 lines
85 KiB
Plaintext
<UPF version="2.0.1">
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<PP_INFO>
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Generated using "atomic" code by A. Dal Corso (Quantum ESPRESSO distribution)
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Author: anonymous
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Generation date: 24Jun2010
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Pseudopotential type: NC
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Element: Si
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Functional: SLA PZ NOGX NOGC
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Suggested minimum cutoff for wavefunctions: 0. Ry
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Suggested minimum cutoff for charge density: 0. Ry
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The Pseudo was generated with a Non-Relativistic Calculation
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Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 0.0000
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Valence configuration:
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nl pn l occ Rcut Rcut US E pseu
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3S 1 0 2.00 0.000 0.000 0.000000
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3P 2 1 2.00 0.000 0.000 0.000000
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Generation configuration:
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3S 0 0 0.00 0.000 0.000 0.000000
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3P 0 1 0.00 0.000 0.000 0.000000
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Pseudization used: rrkj
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</PP_INFO>
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<!-- -->
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<!-- END OF HUMAN READABLE SECTION -->
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<!-- -->
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<PP_HEADER generated='Generated using "atomic" code by A. Dal Corso (Quantum ESPRESSO distribution)'
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author="anonymous"
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date="24Jun2010"
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comment=""
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element="Si"
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pseudo_type="NC"
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relativistic="no"
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is_ultrasoft="F"
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is_paw="F"
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is_coulomb="F"
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has_so="F"
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has_wfc="F"
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has_gipaw="F"
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core_correction="F"
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functional=" SLA PZ NOGX NOGC"
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z_valence="4.000000000000000E+000"
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total_psenergy="0.000000000000000E+000"
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wfc_cutoff="0.000000000000000E+000"
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rho_cutoff="0.000000000000000E+000"
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l_max="1"
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l_max_rho="2"
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l_local="-1"
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mesh_size="431"
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number_of_wfc="2"
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number_of_proj="2"/>
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<PP_MESH dx="2.500000000000701E-002" mesh="431" xmin="-4.000000000002959E+000" rmax="6.100419732330000E+001"
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zmesh="1.400000000000000E+001">
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<PP_R type="real" size="431" columns="4">
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</PP_R>
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1.101177935650000E+000 1.037666096130000E+000 9.746457591110000E-001 9.124899906160000E-001
|
|
8.515373788570000E-001 7.920904769750000E-001 7.344149003230001E-001 6.787390666430000E-001
|
|
6.252544601920000E-001 5.741164455340000E-001 5.254456800790001E-001 4.793296597840000E-001
|
|
4.358248077730000E-001 3.949587727380000E-001 3.567328674900000E-001 3.211246665150000E-001
|
|
2.880906758420000E-001 2.575690782370000E-001 2.294823037970000E-001 2.037396571160000E-001
|
|
1.802398026770000E-001 1.588730717470000E-001 1.395236534280000E-001 1.220715923030000E-001
|
|
1.063946036000000E-001 9.236971737700000E-002 7.987467255800000E-002 6.878921183019999E-002
|
|
5.899611249460000E-002 5.038210540950000E-002 4.283855431610000E-002 3.626208333010000E-002
|
|
3.055498887810000E-002 2.562553018520000E-002 2.138815586310000E-002 1.776356855250000E-002
|
|
1.467873249710000E-002 1.206679606900000E-002 9.866945768910000E-003 8.024201049060001E-003
|
|
6.489166967130000E-003 5.217744022540000E-003 4.170814012930000E-003 3.313901530630000E-003
|
|
2.616824643860000E-003 2.053337694870000E-003 1.600775560290000E-003 1.239702065190000E-003
|
|
9.535699791240000E-004 7.283944952300000E-004 5.524449635980000E-004 4.159563227800000E-004
|
|
3.108636035330000E-004 2.305584221760000E-004 1.696700627960000E-004 1.238697517830000E-004
|
|
8.969785729440000E-005 6.441318545760000E-005 4.586280674880000E-005 3.237090054550000E-005
|
|
2.264488429070000E-005 1.569701650640000E-005 1.077962290230000E-005 7.332200622250000E-006
|
|
4.938680277930000E-006 3.293298593080000E-006 2.173640824050000E-006 1.419607349200000E-006
|
|
9.171735389000000E-007 5.860105155770000E-007 3.701523154310000E-007 2.310570028800000E-007
|
|
1.425467678380000E-007 8.689315752210000E-008 5.232018253500000E-008 3.110790366640000E-008
|
|
1.825781955660000E-008 1.057448410570000E-008 6.041620104270000E-009 3.403923084230000E-009
|
|
1.890525569770000E-009 1.034671239010000E-009 5.577964161520000E-010 2.960976863700000E-010
|
|
1.547064696000000E-010 7.952799438280000E-011 4.020584408950000E-011 1.998163350080000E-011
|
|
9.757888162200001E-012 4.680255362710000E-012 2.203806268040000E-012 1.018274146740000E-012
|
|
4.614635942040000E-013 2.050149469250000E-013 8.925027851299999E-014 3.805706698560000E-014
|
|
1.589133160610000E-014 6.499467738050000E-015 2.607400428360000E-015 1.030845335730000E-015
|
|
4.071201450990000E-016 1.569737303550000E-016 5.905288653610000E-017 2.166171874790000E-017
|
|
7.742893224060001E-018 2.695170519490000E-018 9.129532801980001E-019 3.007388702300000E-019
|
|
9.627223732090000E-020 2.992727119380000E-020 9.027420828660000E-021 2.640333209610000E-021
|
|
7.481897975800000E-022 2.052455104470000E-022 5.446112818330000E-023 1.396637355040000E-023
|
|
3.458506282230000E-024 8.262581073630000E-025 1.902697392820000E-025 4.219345754650000E-026
|
|
9.001736884750000E-027 1.845810784980000E-027 3.634049476930000E-028
|
|
</PP_RHOATOM>
|
|
</UPF>
|