Dear all,
Has anyone ever used the atom program to
design crystallographic or magnetic structure?
I have a difficulty at this time
in the way we define the octahedra or tetrhedra in a crystallographic
structure.Also I would like some advise upon how we can define a specific number
of
This is to answer the question from Alexandros:
The simplest approximation to the thermal expansion coefficient uses the
Debye or Einstein specific heat through the so-called Gruneisen formula
alpha=gamma*cv/(3*B*Vm)
where alpha is the linear expansion coefficient (1/3 of the volume TEC), B
Dear All,
we are planning to purchase a new diffractometer, which will be mostly
devoted (but not exclusively) to structure determination. We will mainly
study organometallic compounds and silicate minerals, working both in
transmission and reflection geometry.
Two possible choices for Siemens D
Hallo All,
We are using Rietveld refinement for quantitative phase analysis. I would
like to know just how "quantitative" it really is, on an absolute as well as
a relative basis. The sample is obviously a large source of error. Does
anybody know what relative errors one can expect, or can som
Dear Irini,
do you mean the program ATOMS by Eric Dowty?
Defining polyhedra in ATOMS is pretty straight forward by using
Input1/Polyhedra (I am referring to version 5.0).
Defining the no. of atoms or the size of the structure fragment
drawn is done in Input1/Boundary.
If you want to draw diff
Hi all!!
I wonder whether someone could tell me why the
fullprof creates such a sum file which can not be read.
Is it possible to tell me someone why this is
so?many thanks in advanceIrini
2kb.sum
Hi Irini,
This sum file can be read - just open it using notepad if you're in windows.
I'm not certain what you'd use to read it in other OS.
Jude
:-)
All I really need is love, but a little chocolate now and then d
Actually, under Win2000k the files can be easily
opened by any text editor. Waht kind of editor or OS are you using?
Regards,
leonardo
___
eng. Leonardo ContDpt. Materials
EngineeringUniversity of Trento38050 TRENTO - ITALY
Office: +39 04
Natale (and others!)
We have a very new D8 equipped with dual Goebel mirrors (40mm primary and
secondary), but have no experience with the Vario monochromator (very fiddly
to keep well aligned so I'm told). We've just used the reflection geometry
so far, as we haven't even got around to mounting
Dear Leonardo,
I use the UltraEdit-32 editor but I don't think that the problem is there.
On Thu, 5 Jul 2001, Leonardo Cont wrote:
> Actually, under Win2000k the files can be easily opened by any text editor. Waht
>kind of editor or OS are you using?
> Regards,
> leonardo
>
> ___
At 16:36 05/07/2001, you wrote:
>I use the UltraEdit-32 editor but I don't think that the problem is there.
Actually UltraEdit is indeed the problem. It is an excellent editor but
the doc will tell you that it will open the file as binary, not ascii if it
finds what it thinks are binary charac
>UltraEdit ... will open the FullProf sum file as binary...
I meant hexadecimal :-) Do cntrl-H to switch to ascii in UltraEdit.
The interest of UltraEdit http://www.ultraedit.com/ is that it knows the
syntax of many languages, C, Perl, Fortran etc and can be told about other
syntax. It makes
>Only exception is Bob von Dreele, who kindly posted the GSAS
>source for the benefit of Armel :-)
Unfortunately, no benefit at all until now. Still no permission for
putting it in the source code museum. Bob possibly considers
that his code is not old enough and may post an obsolete version
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