[xcrysden] pw.inp question
Ary Junior
aryjunior at gmail.com
Tue Feb 12 21:24:48 CET 2008
Hi, when I try:
xcrysden --pwi input.pw.inp
I get an error. I've checked my "xcrys_tmp/" directory and the "
pwi2xsf.xsf_out" for the structure was generated, but the "
pwi2xsf.xsf_out.raw" was not... Anybody can help me? The error is:
Running on platform: unix
Executing: /opt/XCrySDen-1.4.1bin-static/bin/ftnunit
*** the hardware does not support the stereo ***
TEXT-WIDGET: .a1.f1.t
Executing: sh /opt/XCrySDen-1.4.1bin-static/scripts/pwi2xsf.sh
/home/aryjr/DFT-GFQSI-ARY/Praticas/semicondutores/si-modelo.pw.inp
Error in startup script: error opening files:
~/xcrys_tmp/xc_4618/pwi2xsf.xsf_out and
~/xcrys_tmp/xc_4618/pwi2xsf.xsf_out.raw
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 [list sh
$system(TOPDIR)/scripts/pwi2xsf.sh] pwi2xsf.xsf_out {PWSCF Input File}
ANGS -file $filedir -preset pwIn..."
invoked from within
"if [file exists $filedir] {
# pop-up Viewer
ViewMol .
openExtStruct 3 crystal external [list sh
$system(TOPDIR)/scripts/pwi2xsf.sh] pwi2xsf..."
("--pwi" arm line 2)
invoked from within
"switch -glob -- $tag {
"-a" -
"--attrib*" {
set load_attributes 1
set file_attributes $filedir
}
"--xsf" -
"--xcr..."
(procedure "parseComLinArg" line 44)
invoked from within
"parseComLinArg [lrange $argv 2 end]"
invoked from within
"if { [llength $argv] > 2 } {
parseComLinArg [lrange $argv 2 end]
} else {
ViewMol .
}"
(file "/opt/XCrySDen-1.4.1bin-static/Tcl/xcInit.tcl" line 532)
Thanks very much!!!
Ary Junior
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