On 02/19/2018 03:14 PM, Saif Ullah wrote: > Dear Eleni, > > Did you use ibrav=0? If so, then you need to use q_in_band_form=.false. > q_in_cryst_coord=.true. > Neither of these two bits of advice is correct:
1. q_in_band_form can be used with ibrav=0 as usual, and works just as well as long as you specify the point coordinates 2. there is no specific reason to use crystal coordinates with ibrav=0, you can, as usual, but by no mean you "need to" kind regards -- Lorenzo Paulatto - Paris _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
