On Sat, 2014-09-06 at 10:59 +0200, Paolo Giannozzi wrote: > On Fri, 2014-09-05 at 17:11 -0700, Hans Horn wrote: > > > is there a way to convert a 'PRIMVEC' block (from xcrysden) > > into 'celldm' as understood by QE ? > > I guess it is easier to convert the PRIMVEC block into > the CELL_PARAMETERS card
... which can be done verbatim if you specify: ibrav = 0 and celldm(1)=1.88973 (angstrom-to-bohr conversion factor) in the SYSTEM namelist. Regards, -- Anton Kokalj J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia (tel: +386-1-477-3523 // fax:+386-1-477-3822) Please, if possible, avoid sending me Word or PowerPoint attachments. See: http://www.gnu.org/philosophy/no-word-attachments.html
