[Wien] Problem with energy difference GGA & LDA

[krutibas panda]

Dear Wien2k users,

I have a compound orthorhombic (Pnma). I found the energy difference between 
the undeformed state and the deformed state using GGA. The energy diffrence 
i am getting is in about 0.0035 Rydbergs (~ 3 mRy). This difference seems 
right

I did the same calculation using LDA, but the energy difference i am getting 
is kinda big , about 0.012 Rydbergs (~12 mRy).  The energy difference is 
kinda large.

The above observation occurs with the same set of parameters (Rkmax = 7, 
Gmax=14) and with 5000 k points.

Could someone tell me if i am doing anything wrong with my LDA calculation. 
Do i need to change any of those above mantioned parameters ?

thanks in advance
krutibas
university of utah
kpanda at mines.utah.edu

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