Re: [Pw_forum] Problem with tetrahedra method for calculations DOS (fwd)

2017-11-13 Thread Paolo Giannozzi
I think I figured out the origin of the problem. Array "tetra" passed to "qexml_read_occ" in line 2010 of routine PW/src/pw_restart.f90 is not allocated. For obscure reasons, sometimes the code decides that unallocated == not present (tetra is an optional variable) and continues. Tetrahedra are all

Re: [Pw_forum] Problem with tetrahedra method for calculations DOS (fwd)

2017-11-06 Thread Andrea Ferretti
Quick follow up: the fact that QE-6.2 does not show the problem is related to the IO default, using the new xml schema. When forcing the old QEXML format, the problem is reproduced there too. Andrea -- Forwarded message -- Date: Mon, 6 Nov 2017 17:32:22 +0100 (CET) From: A