[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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