[Pw_forum] supercell calculations with matdyn

giannozz at democritos.it giannozz at democritos.it
Tue Jan 20 22:04:53 CET 2009


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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