On Nov 12, 2011, at 10:48 , Mahmoud Payami wrote: > I am trying to test a given pseudopotential, which is generated by > Vanderbilt's code, using the atomic code (ld1.x). I encounter the > message: > ------ > %%%%%%%%%%%%%%%%%%%% > from read_pseudoup : error #1 > mesh not supported > %%%%%%%%%%%%%%%%%%
this is an old problem. The atomic code uses as radial grid: r(i) = r_0 exp(i*dx) . The Vanderbilt code uses instead: r(i) = r_0 (exp(i*dx)-1). Some time ago I tried to convince the atomic code to accept the latter grid, but it turned out not to be an easy task. A straightforward but boring solution is to interpolate all quantities from grids of type 2. P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
