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

Åke Sandgren ake.sandgren at hpc2n.umu.se
Wed Aug 13 10:20:51 CEST 2014


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?

-- 
Ake Sandgren, HPC2N, Umea University, S-90187 Umea, Sweden
Internet: ake at hpc2n.umu.se   Phone: +46 90 7866134 Fax: +46 90-580 14
Mobile: +46 70 7716134 WWW: http://www.hpc2n.umu.se



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