From xcrysden@democritos.it Wed Mar 28 01:42:35 2007
From: xcrysden@democritos.it (Munetaka (TAGUCHI))
Date: Wed, 28 Mar 2007 09:42:35 +0900
Subject: [xcrysden] Fermi surface plot
Message-ID: <006f01c770d1$fa8c8f60$37d50b0a@yuki>
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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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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=20
directory and
I am having this error.
argument to math function didn't have =
numeric=20
value
argument to math function didn't have numeric=20
value
while executing
"if { $wn(fs_nkp) !=3D=20
int($wn(fs_nkp)) } {
set wn(fs_nkp)=20
2000
}"
invoked from within
"if ![info =
exists=20
wn(fs_nkp)] {
set klist =
$wn(dir)/$wn(filehead).klist
if ![file=20
exists $klist] {
ErrorDialog "File=20
\"$wn(dir)/$wn(filehead).kli..."
(procedure =
"wnFSInit"=20
line 37)
invoked from=20
within
"wnFSInit =
$filedir"
=20
(procedure "wnOpenFS" line 9)
invoked from=20
within
"wnOpenFS"
invoked from=20
within
".menu.vmfile.menu.wien invoke active"
=20
("uplevel" body line 1)
invoked from =
within
"uplevel #0=20
[list $w invoke active]"
(procedure =
"tk::MenuInvoke" line=20
47)
invoked from within
"tk::MenuInvoke=20
.menu.vmfile.menu.wien 1"
(command bound to=20
event)
Could anyone tell me what happed here? Your help would be highly=20
appreciated.
Best Regards
Munetaka TAGUCHI
-----------------------------------------
Munetaka =
TAGUCHI
Quantum=20
Materials Research Group
Quantum Electronic Materials Research =
Team
Harima=20
Institute/SPring-8
RIKEN
1-1-1 Kouto, Sayo-cho,
Sayo-gun, =
Hyogo,=20
679-5148
Japan
-----------------------------------------
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From xcrysden@democritos.it Fri Mar 30 17:22:02 2007
From: xcrysden@democritos.it (Tone Kokalj)
Date: Fri, 30 Mar 2007 18:22:02 +0200
Subject: [xcrysden] Fermi surface plot
In-Reply-To: <006f01c770d1$fa8c8f60$37d50b0a@yuki>
References: <006f01c770d1$fa8c8f60$37d50b0a@yuki>
Message-ID: <1175271722.2482.11.camel@localhost.localdomain>
On Wed, 2007-03-28 at 09:42 +0900, Munetaka (TAGUCHI) wrote:
> 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
> }"
Apparently, xcrysden cannot figure out what is the number of k-points.
Can you send me your case.klist file (possibly also struct file). I'll
try to check what is going on.
Regards, Tone