The ABINIT Users Mailing List ( CLOSED )

[youcef <bouhadda@yahoo.com>]

hi,
-first thank you dear IAN for your replay and i forget in my message to  tell
you that i have increase the diltamx  ( very big value!!!) but no results.
2- dear Dr XAVIER I have used the acell given in the liturature and direved
from the experience
acell=4.88A° (wyckoff RWG 1963 crystal structures vol I (New York:
interscience))
or acell= 4.89A°(found in the paper of Barrera chemical physics 317
(2005)119-129).
so i have not understand what you mean by"..restart from a better  acell".
thank you again for your help,