[Wien] different fermi energy again

Yongbin Lee yblee at iastate.edu
Sun Dec 31 05:54:06 CET 2006


>runsp_lapw -p -orb -cc 0.001 -ec 0.0001
>then i run the following: x lapw2 -up/-dn -qtl     <--------
>                          x tetra -up/-dn

At this part, did you run "x lapw2 -up/-dn -qtl" or " x lapw2 -up/-dn -qtl -p"
Your SCF calculation looks parallell job. In this case, you need "-p" for qtl 
calculation.


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