[Pw_forum] fix lattice constants

Lorenzo Paulatto paulatto at sissa.it
Wed Apr 2 13:49:41 CEST 2008


On Mer, Aprile 2, 2008 13:10, wangjunjie1981_0 wrote:
>
>   Dear All,
>     I want to fix the lattice parameters to optimize the structure, but i
>  don't know how to achieve. What should be added in input file.

If calculation type is 'relax' than the cell will remain constant, if it
is 'vc-relax' than the cell can change; no other setting is necessary. You
will find more information in the manual.

ragards

-- 
Lorenzo Paulatto
SISSA  &  DEMOCRITOS (Trieste)
+39 040 3787 511
http://people.sissa.it/~paulatto/


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