Index of /~dhv/uspp/uspp-cur/Work/000-Ex

      Name                    Last modified       Size  Description


[DIR] Parent Directory        07-Oct-2003 11:44      -  
[DIR] 000-Ex-ca-sp-notest/    17-Jul-2002 16:22      -  
[DIR] 000-Ex-ca-sp-test/      07-Oct-2003 11:41      -  
[DIR] 000-Ex-ca-sp-tests/     17-Jul-2002 16:27      -  
[TXT] Makefile                02-Dec-2006 11:12     1k  
[DIR] Sample_output/          02-Dec-2006 12:25      -  

This directory contains three dummy working subdirectories that
illustrate what such a subdirectory should contain, and in particular,
giving sample Makefile's, that can be used as templates.

000-Ex-ca-sp-notest : A version which allows for the generation and
                      installation of the potential.  However, no
                      transferability test is provided.

000-Ex-ca-sp-test   : A standard version which allows for the generation
                      and installation of the potential, with one optional
                      transferability test.

000-Ex-ca-sp-tests  : A version which allows for the generation and
                      installation of the potential, with two optional
                      transferability tests.

It is recommended that at least one transferability test be provided,
so the 'test' version is considered the 'standard' one.

For each configuration to be tested, two input files are needed:
  XX_ae_YYYY.adat
  XX_test_YYYY.adat
These are used to run the all-electron calculation and the
transferability test, respectively.  The configuration to be tested is
specified in the former ones (XX_ae_YYYY.adat).  Note that the latter
ones (XX_test_YYYY.adat) can often be identical in practice.

Note that the output files "*.out" from the 000-Ex-ca-sp-test
runs have been copied to subdirectory Sample_output/ so that
a first-time user can check whether the executions are generating
the expected results.

					David Vanderbilt
					December 2006

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Prof. David Vanderbilt               Phone: (732) 445-2514
Department of Physics and Astronomy  Fax:   (732) 445-4400
Rutgers University                   Email:  dhv@physics.rutgers.edu
136 Frelinghuysen Road               http://www.physics.rutgers.edu/~dhv
Piscataway, NJ 08854-8019   USA
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