Dear Wien2k.
I am working on the Heusler (X2YZ) compounds. I want to
generate different AFM structure (111, 110 and 100) files such that the
direction of the Y atom layers should be in along x, along Y and along Z
directions. Is it possible?
Please give suggestions.
Thank you in
What are the Heusler compounds, what are their crystal structure, otherwise it
is difficult to help you...
De: wien-boun...@zeus.theochem.tuwien.ac.at
wien-boun...@zeus.theochem.tuwien.ac.at en nombre de Peram sreenivasa reddy
peramsreeni...@gmail.com
Enviado:
On Sat, May 31, 2014 at 03:05:15PM +, delamora wrote:
What are the Heusler compounds, what are their crystal structure, otherwise
it is difficult to help you...
https://en.wikipedia.org/wiki/Heusler_alloy
wikipedia is not the most credible source but it can be used to start.
I'm sure
Dear wien2k comunity
I have wien2k 11 installed
I am doing the initialization but getting this problem
Error in LAPW1
'INILPW' - can't open unit: 10
'INILPW' - filename: y/CeO2.vector
'INILPW' -
Environmental variable SCRATCH is likely not set properly
[https://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg01470.html].
It is recommend to use ./, but the error message indicates that it is
likely set to y.
On 5/31/2014 2:31 PM, Karima Karim wrote:
Dear wien2k comunity
I
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