Re: [QE-users] error output of xsd data file

2019-06-13 Thread Paolo Giannozzi
There is no such "updated" patch. There is a patch, available on github, for old Intel compilers, that works for all cases that have been tried. If it doesn't work for your case, there is nothing I can do. On Thu, Jun 13, 2019 at 4:30 PM Hari Paudyal wrote: > Hi Paolo, > > This is a kind

Re: [QE-users] error output of xsd data file

2019-06-13 Thread Hari Paudyal
Hi Paolo, This is a kind remainder that I am still waiting for the updated patch to install on my older compiler. Could you please send it if anyone has updated it at your earliest convenience? Thank you, Hari On Wed, Jun 5, 2019 at 10:26 AM Paolo Giannozzi wrote: > No reason to apologize:

[QE-users] use of libxc functional

2019-06-13 Thread José Carlos Conesa
Dear all, I wish to try in qe the functional HLE17 which is included in libxc (with the name MGGA_XC_HLE17); but I do not see any reference to it in the Modules/funct.f90 file. Would this be possible? Regards, -- José C. Conesa Instituto de Catálisis y Petroleoquímica, CSIC Marie Curie 2,