Index of /~dhv/uspp/uspp-cur/Work/079-Au/079-Au-ca--ts

      Name                    Last modified       Size  Description


[DIR] Parent Directory        29-Dec-2002 13:13      -  
[TXT] Makefile                23-Jul-2002 08:48     2k  
[TXT] Au_ps.adat              23-Jul-2002 08:26     1k  
[TXT] Au_ae_5d9.56s16p0.5...> 23-Jul-2002 08:15     1k  

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

A. Dal Corso.
dalcorso@sissa.it
July 2002

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

Generated in the 5d9.5 6s1.0 6p0.5 configuration.

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


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

Au bulk.

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

Nothing to report.

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

fcc Au
Cut-off (Ry) Lattice constant (a.u.)  Bulk modulus (MBar)
20           7.66992                   1.892
25           7.66841                   1.859
30           7.67671                   1.890
35           7.67442                   1.891



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Miscellaneous
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Nothing to report.