3286 lines
306 KiB
Plaintext
3286 lines
306 KiB
Plaintext
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<UPF version="2.0.1">
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<PP_INFO>
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Generated in analytical, separable form
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Author: Goedecker/Hartwigsen/Hutter/Teter
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Generation date: Phys.Rev.B58, 3641 (1998); B54, 1703 (1996)
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Pseudopotential type: NC
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Element: W
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Functional: PZ
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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: unknown format, L component and cutoff radius: -3 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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Generation configuration: not available.
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Comment:
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Info: automatically converted from CPMD format
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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 in analytical, separable form"
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author="Goedecker/Hartwigsen/Hutter/Teter"
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date="Phys.Rev.B58, 3641 (1998); B54, 1703 (1996)"
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comment="Info: automatically converted from CPMD format"
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element=" W"
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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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paw_as_gipaw="F"
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core_correction="F"
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functional="PZ"
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z_valence="6.000000000000000E+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="2"
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l_max_rho="0"
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l_local="-3"
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mesh_size="1273"
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number_of_wfc="0"
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number_of_proj="6"/>
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<PP_MESH dx="1.250000000000000E-002" mesh="1273" xmin="-7.000000000000000E+000" rmax="9.908072350210804E+001"
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zmesh="7.400000000000000E+001">
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<PP_R type="real" size="1273" columns="4">
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</PP_BETA.1>
|
||
|
<PP_BETA.2 type="real" size="1273" columns="4" index="2" label="2S" angular_momentum="0" cutoff_radius_index="1031"
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||
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<PP_BETA.3 type="real" size="1273" columns="4" index="3" label="1P" angular_momentum="1" cutoff_radius_index="1049"
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||
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<PP_BETA.4 type="real" size="1273" columns="4" index="4" label="2P" angular_momentum="1" cutoff_radius_index="1053"
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</PP_BETA.4>
|
||
|
<PP_BETA.5 type="real" size="1273" columns="4" index="5" label="1D" angular_momentum="2" cutoff_radius_index="1025"
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cutoff_radius="4.463507566346606E+000" ultrasoft_cutoff_radius="0.000000000000000E+000">
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</PP_BETA.5>
|
||
|
<PP_BETA.6 type="real" size="1273" columns="4" index="6" label="2D" angular_momentum="2" cutoff_radius_index="1029"
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||
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</PP_DIJ>
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</PP_NONLOCAL>
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<PP_PSWFC>
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</PP_PSWFC>
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0.000000000000000E+000
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|
</PP_RHOATOM>
|
||
|
</UPF>
|