[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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