[Pw_forum] supercell calculations with matdyn

merlin meheut meheut at impmc.jussieu.fr
Tue Jan 20 22:15:30 CET 2009


> 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) )
>

This seems to work! I am going to look at it in details.

>> At line 289 of file matdyn.f90
>> Fortran runtime error: End of file
>
> this is quite self-explanatory
>

Sorry that had nothing to do with the problem!

Merlin Meheut
ESS department at UCLA
--
Merlin Méheut
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