[Pw_forum] Error in routine d_matrix_so

Paolo Giannozzi p.giannozzi at gmail.com
Fri Jul 3 09:28:22 CEST 2015


On Fri, Jul 3, 2015 at 8:55 AM, Rajdeep Banerjee <rajdeep.jzs at gmail.com>
wrote:


>      Error in routine d_matrix_so (5):
>      D_S (j=1/2) for this symmetry operation is not unitary
>
I am running it on espresso-5.0.1
>

then run it on a more recent version of QE. Nobody will waste time looking
for bugs that may have already been fixed

Paolo

Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20150703/133cf3c7/attachment.html>


More information about the users mailing list