[Pw_forum] supercell calculations with matdyn

merlin meheut meheut at impmc.jussieu.fr
Fri Jan 30 04:21:27 CET 2009


Hi Paolo,

It was just to tell you that everything seems ok with this correction.

Best wishes,

Merlin


Quoting giannozz at democritos.it:

> Quoting merlin meheut <meheut at impmc.jussieu.fr>:
>
>> I am trying to look at it myself right now.
>
> excellent initiative. Something that was wrong for sure is the
> following: line 243 (of the cvs version) of matdyn.f90 was
>
>      ALLOCATE ( tau (3, nat), ityp(nat), itau_blk(nat_blk) )
>
> while it should be instead
>
>      ALLOCATE ( tau (3, nat), ityp(nat), itau_blk(nat) )
>
>> At line 289 of file matdyn.f90
>> Fortran runtime error: End of file
>
> this is quite self-explanatory
>
> Paolo
> ---
> Democritos and University of Udine
>
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Merlin Méheut
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