[Pw_forum] Star_q degeneracy error

Mousumi Upadhyay mousumi at jncasr.ac.in
Mon Mar 15 07:46:59 CET 2004

Hi all,

           Am using PWSCF for a hexagonal lattice-system. I want to 
relax the system fully, i.e. I want to relax lattice parameters a,c 
and internal structure parameter u, simultaneously through PWSCF (not
manually). Earlier we were using option "iswitch"=1, for just relaxing
u, ie. structural relaxation. Now what option should we use?

            Thanks,, Mousumi.

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