[Pw_forum] Difference between cartesian coordinates and crystal coordinates
giannozz at democritos.it
Tue Apr 19 20:34:07 CEST 2011
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 too many ways to specify
input coordinates and lattices. Choose the format you want
and stick to that one.
Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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