[Pw_forum] About fhi2upf.x

[Paolo Giannozzi]

In upftools/fhi2upf.f90, replace line 98
   if ( i /= 0 ) then
with
   if ( i /= 0 .or. zval <= 0.0 .or. zval > 100.0 ) then
and recompile. This is a check on the contents of the
first line that should return an error code (i) for
pseudopotentials from abinit web site, but for some
obscure reason it returns i=0 (i.e. no error) in this
specific cases. Thank you for remarking this

> Are these results OK?

they are

P.
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy