[Wien] lapw5.def

fabella wfabella at niu.edu
Mon Aug 16 05:13:59 CEST 2004


Hello,

I am trying to plot the Coulomb and Exchange-correlation potential with 
lapw5.def.  After these potentials are calculated using R2V option in 
case.in0 I have edited the lapw5.def file in order to substitute 
case.r2v or case.vcoul for case.clmval (as instructed in the 
userguide).

For some reason when i then run lapw5 (x lapw5) the lapw5.def reverts 
to the default lapw5.def with case.clmval instead of case.r2v or 
case.vcoul.  Is there something i am missing here?

Thankx

Wesley




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