Hello,

I am trying to run an EFG calculation for Glutamic Acid.

However I have run into some problems. RMT*KMax is 7.00 which is 
well within the allowed limits but gmin >gmax (18,14).

Some core electrons are also leaking out of the MT sphere. (about 
.02)

k-points are set as 400 and energy cutoff is -6.0 Ry.

Any pointers ?

Gurpreet
Phd Student
NCL Pune
India


