[Pw_forum] bands_FS.x Unknown----ferimi surface problem
Small
12248580 at qq.com
Wed Mar 13 01:58:55 CET 2013
During the fermi surface plot , in the last step of bands_FS.x , I found a problem as follows, could you give some hints ?
forrtl: severe (59): list-directed I/O syntax error, unit 5, file stdin
Image PC Routine Line Source
bands_FS.x 00000000004890FD Unknown Unknown Unknown
bands_FS.x 0000000000487C05 Unknown Unknown Unknown
I am looking forward to your kindly suggestions.
Xiaoqiu
The last step in the script is :
.....
cat kvecs_$Sysname >>$name.nscf.in
$MPIDIR/mpirun -np $NP -machinefile $CURDIR/.nodelist $EXEDIR/pw.x< $name.nscf.in >$name.nscf.out
#######(using bands_FS.x to transform the kpoints and their eigenvalues to the .bxsf form for xcrysden##################
# prepare input data (input_FS, Bands.out)for bands_FS
mv $name.nscf.out Bands_NSP.out
cat > input_FS <<EOF
$n_start $n_last
$E_Fermi
$Sysname
$nabc
$a1
$a2
$a3
EOF
$EXEDIR/bands_FS.x < Bands_NSP.out >bands_fs.out
mv Bands_FS.bxsf $name.fs_NSP.bxsf
#$ECHO " Fermi surface plot: use 'xcrysden --bxsf $name.fs_NSP.bxsf' to plot ...\c"
#$ECHO" done"
#######################################################
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