Bump of the old issue.
As noted by Chloe, inserting:
print "overlap population" in the file does not result in overlap population in the output.
my input file is:
echo
start
title "Water SP"
geometry
symmetry c1
O 0.00000000 0.00000000 0.12982363
H 0.75933475 0.00000000 -0.46621158
H -0.75933475 0.00000000 -0.46621158
end
basis spherical
O library aug-cc-pVDZ
H library aug-cc-pVDZ
end
print "overlap population"
dft
xc becke88 perdew86
convergence energy 1d-8 nolevelshifting
direct
end
property
MULLIKEN
end
task dft property
Now, if I look into code (hnd_mulken.F), I find:
if (ga_nodeid().eq.0) write(luout,2100)
prt_ovlp_pop = ((ga_nodeid().eq.0).and.
& util_print("overlap population",print_debug))
[...]
2100 format(//,10x,28(1h-),/,10x,'Mulliken population analysis',/,
& 10X,28(1h-))
ga_nodeid().eq.0 is True because "Mulliken population analysis" string is printed in the output file. Thus, something is wrong with the second condition.
From util/print.doc:
If ( (the level is below the current printlevel and printing of
"name" has not been explicitly disabled)
or
(the printing of name has been explicitly enabled) )
util_print returns .true.
endif
name was explicitly enabled, but for some reasons util_print returns false.
Any help would be greatly appreciated!
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