[xcrysden] Fermi surface plot
Munetaka (TAGUCHI)
xcrysden@democritos.it
Wed, 28 Mar 2007 09:42:35 +0900
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Dear XCrysDen Users:
I am new user of XCrysDen.
I am trying to plot a Fermi surface for Transition metal oxides (spin
polarized case)
by using Visualization of Fermi surface for WIEN2k.
To start this option, I choose WIEN2k case directory and
I am having this error.
argument to math function didn't have numeric value
argument to math function didn't have numeric value
while executing
"if { $wn(fs_nkp) != int($wn(fs_nkp)) } {
set wn(fs_nkp) 2000
}"
invoked from within
"if ![info exists wn(fs_nkp)] {
set klist $wn(dir)/$wn(filehead).klist
if ![file exists $klist] {
ErrorDialog "File \"$wn(dir)/$wn(filehead).kli..."
(procedure "wnFSInit" line 37)
invoked from within
"wnFSInit $filedir"
(procedure "wnOpenFS" line 9)
invoked from within
"wnOpenFS"
invoked from within
".menu.vmfile.menu.wien invoke active"
("uplevel" body line 1)
invoked from within
"uplevel #0 [list $w invoke active]"
(procedure "tk::MenuInvoke" line 47)
invoked from within
"tk::MenuInvoke .menu.vmfile.menu.wien 1"
(command bound to event)
Could anyone tell me what happed here? Your help would be highly
appreciated.
Best Regards
Munetaka TAGUCHI
-----------------------------------------
Munetaka TAGUCHI
Quantum Materials Research Group
Quantum Electronic Materials Research Team
Harima Institute/SPring-8
RIKEN
1-1-1 Kouto, Sayo-cho,
Sayo-gun, Hyogo, 679-5148
Japan
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<BODY bgColor=3D#ffffff>
<DIV><FONT face=3D"MS UI Gothic">Dear XCrysDen Users:</FONT></DIV>
<DIV><FONT face=3D"MS UI Gothic"></FONT> </DIV>
<DIV><FONT face=3D"MS UI Gothic"></FONT> </DIV>
<DIV><FONT face=3D"MS UI Gothic">I am new user of XCrysDen.</FONT></DIV>
<DIV><FONT face=3D"MS UI Gothic">I am trying to plot a Fermi surface for =
Transition metal oxides (spin polarized case) </FONT></DIV>
<DIV><FONT face=3D"MS UI Gothic">by using Visualization of Fermi surface =
</FONT><FONT face=3D"MS UI Gothic">for WIEN2k. </FONT></DIV>
<DIV><FONT face=3D"MS UI Gothic"></FONT> </DIV>
<DIV><FONT face=3D"MS UI Gothic">To start this option, I choose WIEN2k =
case=20
directory and </FONT></DIV>
<DIV><FONT face=3D"MS UI Gothic">I am having this error.</FONT></DIV>
<DIV><FONT face=3D"MS UI Gothic"></FONT> </DIV>
<DIV><FONT face=3D"MS UI Gothic">argument to math function didn't have =
numeric=20
value<BR>argument to math function didn't have numeric=20
value<BR> while executing<BR>"if { $wn(fs_nkp) !=3D=20
int($wn(fs_nkp)) } {<BR> set wn(fs_nkp)=20
2000<BR> }"<BR> invoked from within<BR>"if ![info =
exists=20
wn(fs_nkp)] {<BR> set klist =
$wn(dir)/$wn(filehead).klist<BR> if ![file=20
exists $klist] {<BR> ErrorDialog "File=20
\"$wn(dir)/$wn(filehead).kli..."<BR> (procedure =
"wnFSInit"=20
line 37)<BR> invoked from=20
within<BR>"wnFSInit =
$filedir"<BR> =20
(procedure "wnOpenFS" line 9)<BR> invoked from=20
within<BR>"wnOpenFS"<BR> invoked from=20
within<BR>".menu.vmfile.menu.wien invoke active"<BR> =20
("uplevel" body line 1)<BR> invoked from =
within<BR>"uplevel #0=20
[list $w invoke active]"<BR> (procedure =
"tk::MenuInvoke" line=20
47)<BR> invoked from within<BR>"tk::MenuInvoke=20
.menu.vmfile.menu.wien 1"<BR> (command bound to=20
event)</FONT></DIV>
<DIV><FONT face=3D"MS UI Gothic"></FONT> </DIV>
<DIV>Could anyone tell me what happed here? Your help would be highly=20
appreciated.</DIV>
<DIV><FONT face=3D"MS UI Gothic" size=3D2></FONT> </DIV>
<DIV><FONT face=3D"MS UI Gothic">Best Regards</FONT></DIV>
<DIV><FONT face=3D"MS UI Gothic"></FONT> </DIV>
<DIV><FONT face=3D"MS UI Gothic">Munetaka TAGUCHI</FONT></DIV>
<DIV><FONT face=3D"MS UI Gothic"><FONT face=3D"MS UI Gothic"=20
size=3D2></FONT></FONT> </DIV>
<DIV><FONT face=3D"MS UI Gothic" size=3D2><FONT face=3D"=1B$B#M#S=1B(B =
=1B$B#P%4%7%C%/=1B(B"=20
size=3D3>-----------------------------------------<BR>Munetaka =
TAGUCHI<BR>Quantum=20
Materials Research Group<BR>Quantum Electronic Materials Research =
Team<BR>Harima=20
Institute/SPring-8<BR>RIKEN<BR><BR>1-1-1 Kouto, Sayo-cho,<BR>Sayo-gun, =
Hyogo,=20
679-5148<BR>Japan<BR></FONT><FONT face=3D"=1B$B#M#S=1B(B =
=1B$B#P%4%7%C%/=1B(B"=20
size=3D3>-----------------------------------------</FONT><BR></DIV></FONT=
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