Commit ad2ee26b authored by sponce's avatar sponce

Test the eigenvalues in PW.

Some tests were not tested (unknow). 



git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13650 c92efa57-630b-4861-b058-cf58834340f0
parent 9f04505f
......@@ -13,6 +13,7 @@ e1=`grep ! $fname | tail -1 | awk '{printf "%12.6f\n", $5}'`
n1=`grep 'convergence has' $fname | tail -1 | awk '{print $6}'`
f1=`grep "Total force" $fname | head -1 | awk '{printf "%8.4f\n", $4}'`
p1=`grep "P= " $fname | tail -1 | awk '{print $6}'`
band=`sed -n "/bands (ev)/{n;n;p}" $fname | awk '{print $1; print $2; print $3; print $4; print $5; print $6; print $7; print $8 }'`
# NSCF
ef1=`grep Fermi $fname | awk '{print $5}'`
......@@ -57,7 +58,13 @@ if test "$el1" != ""; then
for x in $el1; do echo $x; done
fi
if test "$band" != ""; then
echo band
for x in $band; do echo $x; done
fi
if test "$tf1" != ""; then
echo tf1
for x in $tf1; do echo $x; done
fi
......@@ -3,13 +3,14 @@ exe = XXXXXX/test-suite/run-pw.sh
extract_program = XXXXXX/test-suite/extract-pw.x
inputs_args = ('*.in', '')
run_cmd_template = tc.program -input tc.input tc.args > tc.output 2> tc.error
tolerance = ( (5.0e-5, 1.0e-4, 'e1'),
tolerance = ( (8.0e-4, 1.0e-4, 'e1'),
(5.0, None, 'n1'),
(1.0e-3, None, 'f1'),
(9.0e-1, 5.0e-2, 'p1'),
(1.0e-2, None, 'ef1'),
(1.0e-2, None, 'eh1'),
(1.0e-2, None, 'el1'),
(1.0e-3, 1.0e-3, 'band'),
(1.0e-2, None, 'tf1') )
skip_program = grep
skip_args = 'not present in this version'
......
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