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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@294 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
giannozz 2003-09-01 17:06:02 +00:00
parent 5fc5c9148f
commit b13d6feaf1
3 changed files with 7 additions and 3 deletions
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6
TODO
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@ -89,6 +89,10 @@ POSTPROCESSING
- dos, projected dos, etc: input data should be more uniform
- the dynamical matrix written by the phonon code does not contain
the information on lattice basis vectors if ibrav=0.
As a consequence most postprocessing codes will not work
PH
- Tone: ntyp in input needed for phonon GUI ?
@ -97,7 +101,7 @@ PH
D3
- not working, no example !!!
- does it work? no example available !
DOCUMENTATION

2
pwtools/pwi2xsf.sh
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@ -61,7 +61,7 @@ pwNucleiCharges() {
# do we have PW-INPUT or PW-OUTPUT file ???
if [ "`cat $1 | egrep '&input|&system'`" != "" ]; then
if [ "`cat $1 | egrep -i '&input|&system'`" != "" ]; then
# it is PW-INPUT
ntyp=`cat "$1" | awk '{gsub(",","\n"); print}' | grep ntyp \
| awk '{split($0,a,"=|,"); print a[2];}'`

2
pwtools/pwo2xsf.sh
View File

@ -111,7 +111,7 @@ pwNucleiCharges() {
# do we have PW-INPUT or PW-OUTPUT file ???
if [ "`cat $1 | egrep '&input|&system'`" != "" ]; then
if [ "`cat $1 | egrep -i '&input|&system'`" != "" ]; then
# it is PW-INPUT
ntyp=`cat "$1" | awk '{gsub(",","\n"); print}' | grep ntyp \
| awk '{split($0,a,"=|,"); print a[2];}'`