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
