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siesta-project
siesta
Commits
c3221bec
Commit
c3221bec
authored
Jan 27, 2021
by
Nick R. Papior
Browse files
mnt: typos in atom.F
parent
490d2d89
Changes
1
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Src/atom.F
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c3221bec
...
...
@@ -1958,13 +1958,13 @@ C
rc
=
rofi
(
nrc
)
if
(
rc
.lt.
0.5d0
)
then
write
(
6
,
"('KBproj: WARNING: Rc(',i
2
,')=',f12.4)"
)
l
,
rc
write
(
6
,
"('KBproj: WARNING: Rc(',i
0
,')=',f12.4)"
)
l
,
rc
write
(
6
,
"(2a)"
)
'KBproj: WARNING: '
,
.
'Cut of radius for the KB projector too small'
.
'Cut of
f
radius for the KB projector too small'
elseif
(
rc
.gt.
4.5d0
)
then
write
(
6
,
"('KBproj: WARNING: Rc(',i
2
,')=',f12.4)"
)
l
,
rc
write
(
6
,
"('KBproj: WARNING: Rc(',i
0
,')=',f12.4)"
)
l
,
rc
write
(
6
,
"(2a)"
)
'KBproj: WARNING: '
,
.
'Cut of radius for the KB projector too big'
.
'Cut of
f
radius for the KB projector too big'
write
(
6
,
"(2a)"
)
'KBproj: WARNING: '
,
.
'Increasing the tolerance parameter eps'
write
(
6
,
"(a)"
)
'KBproj: WARNING: might be a good idea'
...
...
@@ -3162,7 +3162,7 @@ C
enddo
enddo
write
(
6
,
'(/,a, i4)'
)
.
'KBgen: Total number of
Kleinman-Bylander projectors: '
,
nkb
.
'KBgen: Total number of Kleinman-Bylander projectors: '
,
nkb
C
end
subroutine
KBgen
!
...
...
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