[Pw_forum] regarding xcrysden and QE INPUT FILE
kulwinder kaur
kulwindercmp at gmail.com
Sat Mar 1 08:26:33 CET 2014
hello xcrysden and QE user
my input file of QE is not open with xcrysden. when i open my input file
with xcrysden the following error occur
wrong # args: should be "pwInputPreset file"
wrong # args: should be "pwInputPreset file"
while executing
"pwInputPreset /home/satnam/Desktop/calculation /new mg2si/new mg/mg.scf.in"
("eval" body line 1)
invoked from within
"eval $preset $file"
(procedure "openExtStruct" line 106)
invoked from within
"openExtStruct 3 crystal external {sh
/usr/share/xcrysden/scripts/pwi2xsf.sh} pwi2xsf.xsf_out {PWSCF Input File}
ANGS -preset pwInputPreset"
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)
plz tell me where is problem ? input file or xcrysden
--
Regards
kulwinder kaur
physics department
panjab university chandigarh (india)
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