[Q-e-developers] Small typo in PHonon 5.1 PH/ef_shift.f90 and missing inits in pseudo_types.f90

Paolo Giannozzi paolo.giannozzi at uniud.it
Mon Aug 18 23:14:45 CEST 2014


Hi

please consider this recent svn change (rev.11040):
http://qe-forge.org/gf/project/q-e/scmsvn/?action=browse&path=%
2F&view=rev&sortby=date&revision=11040

Paolo

On Wed, 2014-08-13 at 10:20 +0200, Åke Sandgren wrote:
> On 08/13/2014 09:14 AM, Åke Sandgren wrote:
> > Hi!
> >
> > Found this little typo.
> > Patch attached
> 
> Sorry about the bad "typo" patch....
> The real problem is that "def" is defined as REAL in the
> Module efermi_shift
> but the write is assuming a complex value.
> 
> The 5.0.3 code had "def" defined as complex(DP) and since you have
> def (ipert) = - delta_n / dos_ef
> with delta_n as complex i'm assuming def also should be complex as in 5.0.3?
> 

-- 
Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222 




More information about the developers mailing list