On May 2, 2012, at 13:36 , Sam Azadi wrote: > Using 'KZK' functional as 'input_dft' with K_POINTS input format of: > > K_POINTS (crystal) > n > xk(1,1) xk(2,1) xk(3,1) wk(1) > [...] gives me following error: > --------- > from set_finite_size_volume : error # 1 > volume is not positive, check omega and/or nk1,nk2,nk3
"grep set_finite_size_volume PW/*.f90" (or PW/src/*f90 in the SVN version) and you will understand. 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
