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Wed Nov 21 00:06:05 CET 2012
earth compounds.
First one is with scf calculation I found flowing warning
on sanjay-laptop with PID 6198
using WIEN2k_11.1 (Release 5/4/2011) in /home/sanjay/WIEN2K
start (Wed Jan 2 15:30:46 IST 2013) with lapw0 (40/99 to go)
cycle 1 (Wed Jan 2 15:30:46 IST 2013) (40/99 to go)
> lapw0 (15:30:46) WARNING: The EFG-MATRIX is a NULLMATRIX ! WARNING: The EFG-MATRIX is a NULLMATRIX !
1.2u 0.0s 0:01.27 100.7% 0+0k 0+832io 0pf+0w
Second error found when i tried for optimization
Error in LAPW1
'SELECT' - no energy limits found for L=
0
'SELECT' - E-bottom -200.00000 E-top -200.00000
Can anybody comment on this issues.
Regards,
Sanjay
--
*"DO HELP WHO NEED HELP"*
*
*
*SANJAY KUMAR SINGH*
SCHOOL OF STUDIES IN PHYSICS
JIWAJI UNIVERSITY, GWALIOR - 474 011
MADHYA PRADESH, INDIA
Mobile : +91-9229979962
PHONE : +91-751-2442781, (Office)
FAX : +91-751-2442784
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Respected Prof. P. Blaha Sir and All wien2k users, <br>=A0=A0=A0=A0=A0=A0=
=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=
=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=
=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 Wish you all a very happy =
new year 2013.<br>From last three days I am facing two issues with LSDA+U c=
alculation on rare earth compounds.<br>
First one is with scf calculation I found flowing warning<br><pre>on sanjay=
-laptop with PID 6198
using WIEN2k_11.1 (Release 5/4/2011) in /home/sanjay/WIEN2K
start (Wed Jan 2 15:30:46 IST 2013) with lapw0 (40/99 to go)
cycle 1 (Wed Jan 2 15:30:46 IST 2013) (40/99 to go)
> lapw0 (15:30:46) WARNING: The EFG-MATRIX is a NULLMATRIX !
<span style=3D"background-color:rgb(255,255,0)"> WARNING: The EFG-MATRIX is=
a NULLMATRIX !</span>
1.2u 0.0s 0:01.27 100.7% 0+0k 0+832io 0pf+0w
<br>Second error found when i tried for optimization<br></pre><span style=
=3D"background-color:rgb(255,0,0)"><span style=3D"color:rgb(255,255,51)">Er=
ror in LAPW1<br>=A0'SELECT' - no energy limits found for L=3D 0=A0=
=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=
=A0=A0=A0=A0=A0=A0=A0=A0=A0 <br>
=A0'SELECT' - E-bottom -200.00000=A0=A0 E-top -200.00000=A0=A0</spa=
n> <br></span><br><br>Can anybody comment on this issues.<br><br><br><br>Re=
gards,<br>Sanjay<br><br><br>-- <br><blockquote style=3D"margin:0 0 0 40px;b=
order:none;padding:0px">
<blockquote style=3D"margin:0 0 0 40px;border:none;padding:0px"><div style=
=3D"text-align:center"><i><font color=3D"#660000"><b>"DO HELP WHO NEED=
HELP"</b></font></i></div></blockquote><blockquote style=3D"margin:0 =
0 0 40px;border:none;padding:0px">
<span style=3D"color:rgb(204,0,0)"><i><font face=3D"arial black,sans-serif"=
><div style=3D"text-align:center"><span style=3D"color:rgb(204,0,0)"><i><fo=
nt face=3D"arial black,sans-serif"><br></font></i></span></div></font></i><=
/span></blockquote>
<blockquote style=3D"text-align:center;margin-top:0px;margin-right:0px;marg=
in-bottom:0px;margin-left:40px;border-top-style:none;border-right-style:non=
e;border-bottom-style:none;border-left-style:none;border-width:initial;bord=
er-color:initial;padding-top:0px;padding-right:0px;padding-bottom:0px;paddi=
ng-left:0px">
<span style=3D"color:rgb(204,0,0)"><i><font face=3D"arial black,sans-serif"=
>SANJAY KUMAR SINGH</font></i></span></blockquote><blockquote style=3D"marg=
in:0 0 0 40px;border:none;padding:0px"><div style=3D"text-align:center"><fo=
nt color=3D"#3333ff"><span style=3D"color:rgb(0,102,0)">SCHOOL OF STUDIES I=
N PHYSICS</span></font></div>
</blockquote><blockquote style=3D"margin:0 0 0 40px;border:none;padding:0px=
"><div style=3D"text-align:center"><font color=3D"#000000"><span style=3D"c=
olor:rgb(255,102,0)">JIWAJI UNIVERSITY,=A0</span></font><span style=3D"colo=
r:rgb(0,102,0)">GWALIOR - 474 011</span></div>
</blockquote><blockquote style=3D"margin:0 0 0 40px;border:none;padding:0px=
"><div style=3D"text-align:center"><span style=3D"color:rgb(0,102,0)">MADHY=
A PRADESH,=A0</span><span style=3D"color:rgb(0,102,0)">INDIA</span></div></=
blockquote>
<blockquote style=3D"margin:0 0 0 40px;border:none;padding:0px"><div style=
=3D"text-align:center"><span style=3D"color:rgb(0,102,0)">Mobile : +91-9229=
979962</span></div></blockquote><blockquote style=3D"margin:0 0 0 40px;bord=
er:none;padding:0px">
<div style=3D"text-align:center"><font color=3D"#000000"><span style=3D"col=
or:rgb(0,102,0)">PHONE=A0 : +91-751-2442781,=A0 (Office)</span></font></div=
></blockquote><blockquote style=3D"margin:0 0 0 40px;border:none;padding:0p=
x"><div style=3D"text-align:center">
<span style=3D"color:rgb(0,102,0)">FAX=A0 : +91-751-2442784</span></div></b=
lockquote></blockquote>
--f46d0401f59107b45704d24d4615--
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