[Pw_forum] Finite Difference in PHonon

[weeliat]

Hi,

I was trying out the example in the PHonon/FD directory of espresso-5.1.  My espresso is installed from the svn source today.

1.   I cannot find sufficient descriptions of the input variables for fd.x and fd_ifc.x.  Are these descriptions available (like those for pw.x and ph.x)?  The relevant f90 files do not describe on these variables either.

2.  I encountered a problem in fd_ifc.x when running it in parallel.  pw.x and fd.x ran fine in parallel.  fd_ifc.x could run on a single processor but generated an "error# 1 reading namelist" when on multiple processors.  I checked the fd_ifc.f90 file and found that some of the common parallelization commands used in QE are missing [ex.   USE mp_world,   ONLY : world_comm;   CALL mp_bcast()].  Is fd_ifc.x to be run in parallel?   

Thanks,

wee liat
phD student
Carnegie Mellon University
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