Sorry, the correct link is http://www.fisica.uniud.it/~giannozz/Public/so.tar.gz <http://www.fisica.uniud.it/%7Egiannozz/Public/so-.tar.gz>
On Thu, Jul 9, 2015 at 2:04 PM, Paolo Giannozzi <p.gianno...@gmail.com> wrote: > For a smaller cutoff (25 and 250 instead of 45 and 450) it works for me. > See here: http://www.fisica.uniud.it/~giannozz/Public/so-.tar.gz > > Paolo > > On Thu, Jul 9, 2015 at 5:57 AM, Rajdeep Banerjee <rajdeep....@gmail.com> > wrote: > >> Dear all, >> I tried to run pdos calculation in my system with spin-orbit >> coupling, in espresso-5.1.1, 5.1.2 and 5.2.0 but got the same error, i.e. >> >> Calling projwave_nc .... >> >> %%%%%%%%%%%%%%%%%%%%%%%%%%%%% >> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% >> Error in routine d_matrix_so (5): >> D_S (j=1/2) for this symmetry operation is not unitary >> >> >> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% >> >> stopping .. >> >> If anyone has any idea how to resolve the issue, please share. I have >> attached the input files so that one can reproduce the error. >> >> thanks and regards, >> >> -- >> Rajdeep Banerjee >> PhD student >> JNCASR, Bangalore >> India >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum@pwscf.org >> http://pwscf.org/mailman/listinfo/pw_forum >> > > > > -- > Paolo Giannozzi, Dept. Chemistry&Physics&Environment, > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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