Index of /~dhv/uspp/uspp-736/Work/029-Cu/029-Cu-ca--ts

      Name                    Last modified       Size  Description


[DIR] Parent Directory        29-Dec-2002 13:13      -  
[TXT] Cu_ae_3d9.54s14p0.5...> 23-Jul-2002 04:47     1k  
[TXT] Cu_ps.adat              23-Jul-2002 06:28     1k  
[TXT] Makefile                23-Jul-2002 05:49     2k  

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Author and contact information
------------------------------

A. Dal Corso, starting from an older pseudopotential used in IRRMA.
(See Phys. Rev. Lett. 69, 1982 (1992).)
dalcorso@sissa.it
July 2002

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Introductory information
------------------------

Generated in the 3d9.5 4s1 4p0.5 configuration.

Potential generated before 1996. Used in the initial calculations of
Cu phonons with us pseudopotentials. See Phys. Rev. B 56, R11369 1997.

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Intended environment
--------------------

Cu bulk.

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Summary of atomic transferability tests
---------------------------------------

Nothing to report.

-----------------
Solid-state tests
-----------------

fcc Cu
Cut-off(Ry)  Lattice constant (a.u.)  Bulk modulus (MBar)
20           6.69487                  1.733
25           6.69173                  1.729
30           6.69444                  1.687
35           6.69797                  1.682




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Miscellaneous
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Nothing to report.