[Wien] optimization

Peter Blaha pblaha at theochem.tuwien.ac.at
Sat Oct 8 16:51:40 CEST 2016


These are just normal informations and their meaning should be 
straightforward:

> clmextrapol_lapw has generated a new case.clmsum

clmextrapol extrapolates the density for a new volume


> changing TOT to FOR in case.in2c
> changing TOT to FOR in case.in2_ls
> changing TOT to FOR in case.in2_st
> changing TOT to FOR in case.in2_sy

run_lapw -I    switches the in2-files to a mode where the valence forces 
are not calculated.



> what does this expresion means .plz
>
>
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