[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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