Dear Pwscf user
I am still do not very clear how to set the axes using crystal axes
in the &system card
ibrav and celldm(:) define the gives the cartesian coordinates
ibarv and A, B,C, cosab, cosac,cosbc gives the crystal coordinates
is my understanding correct?
the following
On Apr 19, 2011, at 15:59 , yumin qian wrote:
> The mixture of unit(alat,borhr,angstrom) and coordinates
> (crystal ,cartesian ) often confuse me.
There are 1001 ways to specify input coordinates and lattices.
There is always somebody who would like the 1002-th.
Now you complain that there are
