The ABINIT Users Mailing List ( CLOSED )

["Martin Stankovski" <martin.stankovski@uclouvain.be>]

Dear Asadi,

There is no "magic" value of ecut for a given class of materials, but it
depends on a large number of factors. I would suggest you look at and
perform the relevant abinit tutorials
(http://www.abinit.org/documentation/helpfiles/for-v5.8/tutorial/welcome.htm
l) first and check how to do a convergence study with respect to ecut. The
ecut to use depends mainly on the method you choose, the pseudopotential
used, and what quantity you need to know to a given precision. Asking which
ecut to use is a bit like asking how many points to use to integrate a
function; of course, it depends on the function.

Best of luck,
Martin S.


-----Original Message-----
From: asadidomakani@yahoo.com [mailto:asadidomakani@yahoo.com] 
Sent: den 28 februari 2010 10:50
To: forum@abinit.org
Subject: [abinit-forum] cut off energy for tco

Dear Abiniters,
What are the possible values of ecut for tco?(minimom and maximom of ecut
for
tco )?
thank you,
Asadi

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