[xcrysden] Unable to open PWscf input file Xcrysden 1.6.2

[Stephen Chan]

Hi,

I managed to compile the new version. The graphic looks much nicer.
However, it seems there're some problems in loading QE input file, that can
be visualised in 1.5.60 before.

The strcuture is monoclinic with ibrav 14, spacegroup=14, and uniqueB=True.
Atomic positions are in crystal_sg setting. Apparently, the new version
requires pw.x from quantum espresso to convert the data in xsf format. Even
after I added the path of pw.x in PATH variable, there is an error from the
pwi2xsf.sh that:
PRIMCOORD
1
(standard_in) 1: syntax error

Could anyone give some help please?

Many thanks
Stephen
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