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Execution

The program lapw5 is executed by invoking the command:

lapw5 lapw5.def or lapw5c lapw5.def or x lapw5 [-c -up|dn]

An example of lapw5.def follows.

------------------- top of file: lapw5.def -------------------
5, 'bccli.in5',       'OLD',    'FORMATTED'
6, 'bccli.output5',   'UNKNOWN','FORMATTED'
8, 'bccli.struct',    'OLD',    'FORMATTED'
9, 'bccli.clmval',    'OLD',    'FORMATTED'
10,'bccli.tmp',       'UNKNOWN','UNFORMATTED'
11,'bccli.clmvaldn',  'UNKNOWN','FORMATTED' 
12,'bccli.sigma',     'UNKNOWN','FORMATTED' 
20,'bccli.rho_onedim','UNKNOWN','FORMATTED' 
21,'bccli.rho',       'UNKNOWN','FORMATTED' 
------------------- bottom of file ---------------------------

For the spin-polarized case see fcc Ni on the distribution tape.




2000-04-11