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Small errors in documentation and examples

This commit is contained in:
Paolo Giannozzi 2021-03-27 10:05:38 +01:00
parent 6a01a08954
commit 0993320ece
2 changed files with 2 additions and 6 deletions
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2
PP/examples/README
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@ -90,7 +90,7 @@ W90_open_grid_example:
exx_scf_bands_example:
This example shows how to use pw.x to calculate the band structure of Silicon
using hybrid HSE functional, inclufing zero-weight dummy k-points. in the scf
using hybrid HSE functional, including zero-weight dummy k-points. in the scf
calculation.

6
PP/examples/example04/run_example
View File

@ -82,8 +82,6 @@ $ECHO
# self-consistent calculation
cat > pt.scf.in << EOF
Pt
Pt
&control
calculation = 'scf'
restart_mode='from_scratch',
@ -122,8 +120,6 @@ $ECHO " done"
# a non self-consistent calculation
cat > pt.nscf.in << EOF
Pt
Pt
&control
calculation = 'nscf'
restart_mode='from_scratch',
@ -190,7 +186,7 @@ cat > pt.pdos.in << EOF
/
EOF
$ECHO " running projuected DOS for Pt with spin-orbit ...\c"
$ECHO " running projected DOS for Pt with spin-orbit ...\c"
$PDOS_COMMAND -in pt.pdos.in > pt.pdos.out
check_failure $?
$ECHO " done"