Dear all,
Has anyone ever used the atom programto
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
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
Hi all!!
I wonderwhether 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
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
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
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
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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