figure).
Regards and thanks,
Subhra Kulshrestha
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Respected Prof. P. Blaha and all wien users,
Sir,
?
1.
I have tried to compute the band structure of DySb (spin-up)
using LSDA+U with? U=0.5 Ry.? The band
structure of the same also shows doubling of bands.? Is it?
due to spin-orbit contribution or something wrong? ?
Regards and thanks,
Subhra
phase ?
?
Thanks and regards,
Subhra Kulshrestha
Senior Research Fellow(CSIR)
Condensed Matter Theory Group
School of Studies in Physics, Jiwaji University
Gwalior 474011? (M.P.) INDIA
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(**) some have used 1/3 and some
other have used 1/6.
?
Kindly guide us about the correctness of the terms.
?
with kind regards and thanks,
?
Subhra Kulshrestha
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/compile.msg:make: *** [rp] Error 2
SRC_lapw2/compile.msg:make[1]: *** [lapw2c_mpi] Error 1
SRC_lapw2/compile.msg:make: *** [cp] Error 2
Kindly help to rectify it.
Thanks and Regards,
Subhra Kulshrestha
Project Fellow(UGC), Condensed Matter Theory Group
School of Studies in Physics, Jiwaji
.
??? No Makefile.orig in SRC_w2web, leaving directory.
Press RETURN to continue
?Please help
Thanks and Regards,
Subhra Kulshrestha
Project Fellow(UGC), Condensed Matter Theory Group
School of Studies in Physics, Jiwaji University
Gwalior 474011? (M.P.) INDIA
--- On Mon, 6/10/08, Peter Blaha
Sir,
We are using intel 10.1.018 ifort compiler, 10.1.0.009 mkl library and MPI 3.0
for compiling WIEN2K but getting the following errors (consulted Fecher_compile
intel.pdf)
Copying programs
?
SRC_afminput/afminput
WARNING: no executable found in SRC_aim. Check compile.msg
in this direct
7;YES', where can I get these
(coupling and atomic correction energies ?
Thanks,
Subhra Kulshrestha
Senior Research Fellow(CSIR), Condensed Matter Theory Group
School of Studies in Physics, Jiwaji University
Gwalior 474011? (M.P.) INDIA
Love Cricket? Check out live scores, pho
n the value
of coupling energies within the 4f shell and between this shell and
5d shell.? Is it already included in the total energy ?? If
'YES', where can I get these (coupling and atomic correction energies
?
Thanks in advance,
Subhra Kulshrestha
Senior Research Fellow(CSIR), C
Respected Sir,
I am working on lanthanum trihydride.? During SCF run it reports an error as :
LAPW0 END
SPHBES - Error
> stop error
Kindly help directing me how to overcome this error.
Regargs and thanks,
Subhra Kulshrestha
Project Fellow(UGC), Condensed Matter Theory Group
School
Respected Sir,
I am working on lanthanum trihydride (HoH3 type structure).? After defining and
initializing the structure, during SCF run it reports an error as :
LAPW0 END
SPHBES - Error
> stop error
Kindly help me how to remove this error.
Regargs and thanks,
Subhra Kulshrestha
Sen
consistent with the calculated band structure.
Kindly help? to remove this difference between DOS and band structure.
Regards and thanks,
Subhra Kulshrestha
Senior Research Fellow(CSIR)
Condensed Matter Theory Group
School of Studies in Physics, Jiwaji University
Gwalior 474011? (M.P.) INDIA
Now
.inst file for Cr (test example) is given below :
Cr
Ar 3?
3, 2,2.0? N
3, 2,2.0? N
3,-3,1.0? N
3,-3,0.0? N
4,-1,1.0? N
4,-1,0.0? N
Cr
Ar 3?
3, 2,2.0? N
3, 2,2.0? N
3,-3,1.0? N
3,-3,0.0? N
4,-1,1.0? N
4,-1,0.0? N
END of input (instgen_lapw)
Kindly help.
Regards,
Subhra Kulshrestha
.
Regards,
Subhra Kulshrestha
Senior Research Fellow(CSIR)
Condensed Matter Theory Group
School of Studies in Physics, Jiwaji University
Gwalior 474011? (M.P.) INDIA
The INTERNET now has a personality. YOURS! See your Yahoo! Homepage.
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Many thanks for your help.? Now I am able to flip the spin.
?
Thanks,
?
Subhra Kulshrestha
Senior Research Fellow(CSIR)
Condensed Matter Theory Group
School of Studies in Physics, Jiwaji University
Gwalior 474011? (M.P.) INDIA
--- On Fri, 13/11/09, Stefaan Cottenier wrote:
From: Stefaan
Is there any error with the WIEN2K program or my installation get corrupt ?
Kindly help to resolve this.
Regards,
Subhra Kulshrestha
Senior Research Fellow(CSIR)
Condensed Matter Theory Group
School of Studies in Physics, Jiwaji University
Gwalior 474011? (M.P.) INDIA
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