[Pw_forum] ibrav=0 vs. other choices in CP

[Konstantin Kudin]

 Hi there,

 Is there any performance benefit in specifying for example bcc (body
centered cubic) cell for water in CP via ibrav=3 with a celldm as
opposed to just using ibrav=0 and then giving proper lattice vectors in
CELL_PARAMETERS ?

 Or will the code just convert whatever ibrav into the lattice vectors,
and proceed from there?

 Thanks!
 Kostya

 

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