The ABINIT Users Mailing List ( CLOSED )

[bertazzi@bu.edu]

Dear all,
anaddb documentation specifies that this utility, in case an hexagonal 
crystal is  considered (brav = 4), works only when the primitive vectors of 
the unit cell have the form: (1.0 0.0 0.0) (-.5 sqrt(3)/2 0.0) (0.0 0.0 1.0). 
We have two questions: 

Does anybody know what is the reason of this limitation and if there is a 
newer version of anaddb that does not have this problem?

Has anybody tried to modify the code to make it work with different vectors?  

Thank you in advance for any useful suggestion/comment.

FB and EB