[xcrysden] Crash on vc-relax output

[Marino Vetuschi Zuccolini]

Dear Tone,
here enclosed you can find an error following an attempt of download  
of a pwscf output (optimized coordinates, vc-relax on supercell). Does  
you can understand how it is possible to see the structure? I think  
this error is related to the fact that it is a super cell. Is it?

Thanks

m.


ERROR: Error reading PRIMVEC section
ERROR: Error reading PRIMVEC section
     while executing
"exec $system(BINDIR)/xsf2xsf $filedir $filedir.raw 3"
     ("eval" body line 1)
     invoked from within
"eval {exec $system(BINDIR)/xsf2xsf $filedir $filedir.raw}  
$xcMisc(reduce_to)"
     (procedure "xsfOpen" line 26)
     invoked from within
"xsfOpen $program_output .mesa"
     (procedure "openExtStruct" line 183)
     invoked from within
"openExtStruct 3 crystal external {sh /sh/XCrySDen-1.4.1bin/scripts/ 
dummy.sh} pwo2xsf.xsf {PWSCF Output File} ANGS -preset pwOutputPreset"
     invoked from within
".menu.vmfile.menu.pwscf invoke active"
     ("uplevel" body line 1)
     invoked from within
"uplevel #0 [list $w invoke active]"
     (procedure "tk::MenuInvoke" line 50)
     invoked from within
"tk::MenuInvoke .menu.vmfile.menu.pwscf 1"
     (command bound to event)


*******************************************************
Marino Vetuschi Zuccolini
zucco at dipteris.unige.it
Researcher / Geochemist
Laboratory of Geochemistry

DIPartimento per lo studio della TErra e delle sue RISorse -  
Università  di Genova
Tel. ++39 010 3538136 Fax. ++39 010 352169
Corso Europa 26, 16132 - Genova - Italy