[Pw_forum] PWgui NEB.x input generation error

[Afshin Arjangmehr]

Dear QE users and developers,

Recently, I tried to use PWgui6.0 to generate input files for neb
calculations, but everytime PWgui displays the following error:



*RROR: an error occured while parsing the separator option: -label*

and the following is its details:

<<ERROR: an error occured while parsing the separator option: -label

    while executing
"error $::tclu::error(errMsg) $::tclu::error(info) $::tclu::error(code)"
    ("uplevel" body line 2)
    invoked from within
"uplevel 1 {
    error $::tclu::error(errMsg) $::tclu::error(info) $::tclu::error(code)
    }"
    (procedure "::tclu::ERROR" line 20)
    invoked from within
"::tclu::ERROR "an error occured while parsing the separator option: $opt""
    (object "::guib::NEBmoduleObj0" method "::guib::moduleObj::_separator"
body line 4)
    invoked from within
"_separator [_getCurrentObj] $args"
    (object "::guib::NEBmoduleObj0" method "::guib::moduleObj::separator"
body line 2)
    invoked from within
"separator --label "--- Fictitious Charge Particle (FCP) options ---""
    ("eval" body line 2)
    invoked from within
"eval $code"
    (object "::guib::NEBmoduleObj0" method
"::guib::moduleObj::_manageNameObj" body line 40)
    invoked from within
"_manageNameObj group fcp -decor normal {
        separator --label "--- Fictitious Charge Particle (FCP) options ---"

        var lfcpopt {
        -label "Perfo..."
    ("eval" body line 1)
    invoked from within
"eval _manageNameObj group $ident $args"
    (object "::guib::NEBmoduleObj0" method "::guib::moduleObj::group" body
line 2)
    invoked from within
"group fcp -decor normal {
        separator --label "--- Fictitious Charge Particle (FCP) options ---"

        var lfcpopt {
        -label "Perform a constant b..."
    ("eval" body line 126)
    invoked from within
"eval $code"
    (object "::guib::NEBmoduleObj0" method
"::guib::moduleObj::_manageNameObj" body line 40)
    invoked from within
"_manageNameObj namelist inputpp -name PATH {

    var string_method {
        -label     "Type of path calculation (string_method):"
        -widget    radiobo..."
    ("eval" body line 1)
    invoked from within
"eval _manageNameObj namelist $ident $args"
    (object "::guib::NEBmoduleObj0" method "::guib::moduleObj::namelist"
body line 11)
    invoked from within
"namelist inputpp -name "PATH" {

    var string_method {
        -label     "Type of path calculation (string_method):"
        -widget    radiobox
        -textv..."
    ("eval" body line 9)
    invoked from within
"eval $script    "
    while constructing object "::guib::NEBmoduleObj0" in
::guib::moduleObj::constructor (body line 15)
    invoked from within
"moduleObj ${moduleName}\#auto -title $opt(title) -script $opt(script)
-varscope $opt(varscope)"
    (procedure "module" line 9)
    invoked from within
"module NEB -title "PWSCF GUI: module NEB.x" -script {

    readfilter ::pwscf::nebReadFilter

    #
    # PATH
    #

    namelist inputpp -name "PAT..."
    (file "neb.tcl" line 3)
    invoked from within
"source $file"
    (procedure "loadModule" line 11)
    invoked from within
"loadModule $moduleFile $varscope"
    (procedure "::guib::embedGUI" line 5)
    invoked from within
"::guib::embedGUI $moduleFile $wid"
    (object "::gUI0" method "::guib::GUI::_newInput" body line 56)
    invoked from within
"$cmd $moduleIdent $moduleName $moduleFile"
    (object "::gUI0" method "::guib::GUI::_toolbarCmd" body line 3)
    invoked from within
"::gUI0 _toolbarCmd .gUI0_toolbarnew _newInput neb {NEB.X's neb.dat}
/home/koma/software/QE-USER/PWgui/PWgui-6.0/modules/neb/neb.tcl"
    (in namespace inscope "::guib::GUI" script line 1)
    invoked from within
"namespace inscope ::guib::GUI {::gUI0 _toolbarCmd .gUI0_toolbarnew
_newInput neb {NEB.X's neb.dat}
/home/koma/software/QE-USER/PWgui/PWgui-6.0/modules..."
    invoked from within
".gUI0_toolbarnew.1 invoke"
    ("uplevel" body line 1)
    invoked from within
"uplevel #0 [list $w invoke]"
    (procedure "tk::ButtonUp" line 22)
    invoked from within
"tk::ButtonUp .gUI0_toolbarnew.1"
    (command bound to event)>>

Then, I tried to update iwidgets4, but had no effect. Also, note that other
options in PWgui are generating correct inputs (only neb is not
functioning).

Can anyone recommend me on how to fix this error?

Thanks,
Afshin


-- 
With Best Regards
Afshin Arjhangemehr
PhD student in Radiation Application
Shahid Beheshti University G.C, Tehran, IRAN
(+98) 912 439 20 64
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