[Wien] follow up - *warning* ENE:

[fabella]

Hello Stefaan,

You were right about the change in RKMAX, i guess my cell was too large 
for the value of NMATMAX.  I'm running on pre-compiled Wien2k so i 
don't think the situation is going to get any better.

However, the data does show physical signs of a "vacancy" 
calculation...i don't feel i can rely on the total energy if there is a 
"*warning*" next to ENE:.

So, I've found a smaller supercell for the vacancy: P, 2x2x2, 32 atom 
cell (which reduces to 26) that may give results without warning 
messages for ENE.

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In the same token i want a pretty good k-mesh for the vacancy 
calculation so i guess i have to sacrifice size of the supercell to do 
this....otherwise RKMAX becomes large for NMATMAX.  Is this correct?