[Pw_forum] pwo2xsf error when plot 3D charge density with xcrysden

shhlv shhlv at 163.com
Tue Jul 1 15:46:51 CEST 2008


 Dear pwscf users,
 When I try to open a output file to see the 3D charge density plot with  xcrysden, a error occurs: 
Error:
while executing exec sh /opt/cluster/XCrySDen-1.4.1bin-static/scripts/pwo2xsf.sh --optcoor
/plate/shlv/study/pwscf/si/si_3D.rho.xsf > pwo2xsf.xsf.
(standard_in) 1: parse error
/opt/cluster/XCrySDen-1.4.1bin-static/scripts/pwo2xsf.sh: line 88: test: -eq: unary operator expected
The script contained in pwo2xsf.sh is as follows:
pwoCheckPWSCFVersion() {
 # 
 # Usage: $0 option file
 # 
 # Purpose: if PWSCF version < 1.3 execute the old pwo2xsf_old.sh
 #     script and exit 
 version=`pwoGetVersion $input`
 result=`echo "$version < 1.3"|bc -l`
 if test $result -eq 1 ; then                                ---------line 88
 if test -f $scriptdir/pwo2xsf_old.sh ; then
        # execute pwo2xsf_old.sh 
    $scriptdir/pwo2xsf_old.sh $1 $2 
    pwoExit $?
 else 
    echo "ERROR: PWscf output generated by version < 1.3 !!!"
    pwoExit 1 
 fi
 fi
}
 
And the pwscf version  I used is 3.2.3, I don't know whether the script is right or not.
Can anyone help me to solve this problem? Any suggestion is appreciated. Thank you in advance.
 With best regards.
 Sincerely  yours 
 lilyer 
 
 
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