Please, learn some elementary crystallography in the International year of
crystallography.
regards,
J. Manuel Perez-Mato
Fac. Ciencia y Tecnologia,
Universidad del Pais Vasco, UPV
48080 BILBAO,
Spain
tel. +34 946012473
fax. +34 946013500
***
El
Thank You All.
I benefited from all of you on mailing list. You are absolutely right I
should learn instead of spoon feeding. I can understand fully that experts
are already handling the burden of below average questions.
Inspite of all your recommendation I wish that someone should suggest a
roa
Hello Naseem,
The problem you have is a lack of information. The spacegroup and
stoichiometry still give you freedom through wyckoff positions to create
a variety of structures.
There are multiple avenues you can take. The first is to search the
literature and databases (COD: http://www.crys
Hello Naseem,
Maybe there is a misunderstanding here.
The point is NOT that people don't want to help you on that topic; the point is
that they just CANNOT do it.
The starting point of doing electronic structure calculation is the knowledge
of ALL the crystallographic data on the system. That
Really appreciate last two responses. Thank you both of you Sir.
Everyone helped me on many occasions. I am grateful to all of you.
Best regards
Naseem
On Fri, Jul 4, 2014 at 3:04 PM, Michael Sluydts
wrote:
> Hello Naseem,
>
> The problem you have is a lack of information. The spacegroup and
Hello
I make step by step in user's guide about mbj for zns and got error (last
command run_lapw -i 80)
start (Fri Jul 4 15:03:08 MSK 2014) with lapw0 (40/99 to go)
cycle 1 (Fri Jul 4 15:03:08 MSK 2014) (40/99 to go)
> lapw0 -grr -p (15:03:08) starting parallel lapw0
Hi,
it is difficult to answer without more information. Is there a message
in lapw0.error?
F. Tran
On Fri, 4 Jul 2014, Tuan Vu wrote:
Hello
I make step by step in user's guide about mbj for zns and got error (last
command run_lapw -i 80)
start (Fri Jul 4 15:03:08 MSK 2014) with l
Dear Prof. Blaha,
Is there a Package for finding elastic constants of symmetries with WIEN2k?
Is there a Package for finding the Pressure of phase transition with WIEN2k?
Your's
Mahdi
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elastic constants Wien2k
Ciao
Gerhard
DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
"I think the problem, to be quite honest with you,
is that you have never actually known what the question is."
Dr. Gerhard H. Fecher
Institut of Inorganic
FYI, there is also the "Determining Structure from Symmetry" slides in
the "The International Tables for Crystallography" lecture notes at:
https://chemistry.osu.edu/~woodward/chem_754_files/Page405.htm
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