The ABINIT Users Mailing List ( CLOSED )

[youcef <bouhadda@yahoo.com>]

hi me again
well i am sorry for all!! this morning i try what Dr Xavier suggest (about
structure input) and he is right ! i have  used a wrong rprim input (you can
see clearly)
rprim 1.0   0.0   0.0
           0.0   1.0   0.0
           0.0    0.0   1.0 
and this is for CsCl ( space group221) while in my case must be like NaCl
(space group225 )
so the right rprim is : 
rprim 0.0   0.5   0.5
           0.5   0.0   0.5
           0.5   0.5   0.0 
and I have solved my stupid problem !!! sorry again and thank you for your 
help
sincerly yours