[Wien] runsp -it: lapw1 called thrice?

[Elias Assmann]

On 10/30/2015 01:03 PM, Laurence Marks wrote:
> This is normal. You will see that the second call has no "-it". The
> shell script detects if there is a problem with the iterative mode and
> switches to non-iterative diagonalization.

Thank you for the clarification.  I had never noticed the behavior
before.  I guess this also explains why I sometimes see ‘-it -up; -up;
-dn’, and sometimes ‘-it -up; -it -dn; -dn’.

	Elias



-- 
Elias Assmann
Institute of Theoretical and Computational Physics
TU Graz                   ⟨https://itp.tugraz.at/⟩

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