<DIV> Dear pwscf users,<BR> When I try to open a output file to see the 3D charge density plot with xcrysden, a error occurs:
<DIV>Error:<BR>while executing exec sh /opt/cluster/XCrySDen-1.4.1bin-static/scripts/pwo2xsf.sh --optcoor<BR>/plate/shlv/study/pwscf/si/si_3D.rho.xsf > pwo2xsf.xsf.</DIV>
<DIV>(standard_in) 1: parse error<BR>/opt/cluster/XCrySDen-1.4.1bin-static/scripts/pwo2xsf.sh: line 88: test: -eq: unary operator expected</DIV>
<DIV>The script contained in pwo2xsf.sh is as follows:</DIV>
<DIV>pwoCheckPWSCFVersion() {<BR> # <BR> # Usage: $0 option file<BR> # <BR> # Purpose: if PWSCF version < 1.3 execute the old pwo2xsf_old.sh<BR> # script and exit <BR> version=`pwoGetVersion $input`<BR> result=`echo "$version < 1.3"|bc -l`<BR> if test $result -eq 1 ; then ---------line 88<BR> if test -f $scriptdir/pwo2xsf_old.sh ; then<BR> # execute pwo2xsf_old.sh <BR> $scriptdir/pwo2xsf_old.sh $1 $2 <BR> pwoExit $?<BR> else <BR> echo "ERROR: PWscf output generated by version < 1.3 !!!"<BR> pwoExit 1 <BR> fi<BR> fi<BR>}<BR> <BR>And the pwscf version I used is 32.3, I don't know whether the script is right or not.</DIV>
<DIV>Can anyone help me to solve this problem? Any suggestion is appreciated. Thank you in advance.<BR> With best regards.<BR> Sincerely yours <BR> lilyer </DIV></DIV>
<DIV> </DIV>
<DIV> </DIV><br><!-- footer --><br>
<hr>
<font style="font-size:12px;line-height:15px;"></font><a style="font-size:12px;line-height:15px; color:blue; text-decoration:underline;" href="http://popme.163.com/link/003982_0627_5776.html">350ÍòÆð ¶À¶°É½Êû</a>