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Execution

The program lapw2 is executed by invoking the command:

x lapw2 [-c -up|dn -p -so -qtl -fermi] or
lapw2 lapw2.def [proc#] or lapw2c lapw2.def [proc#]

where proc# is the i-th processor number in case of parallel execution (see Fig. 5.2).

For each inequivalent atom a file case.helpXX must be defined, starting with XX=31. For complex calculations case.in2c is used, for semi-core calculations lapw2s.def differs from the regular file lapw2.def only in few points, namely case.in2 must be replaced by case.in2s and case.clmval by case.clmsc. For a spin-polarized case see the fcc Ni test case in the WIEN97 package.




2000-04-11