The ABINIT Users Mailing List ( CLOSED )

[Konstantin Rushchanskii <konstantin.rushchanskii@cea.fr>]

Hi,

in the manual for anaddb I have found this sentence: "thmflag: the 
Debye-Waller factors (tensors) for each atom, as a function of the 
temperature (DISABLED, SORRY)".

And in the tutorial on response function the following one: "*6. 
Thermodynamical properties ... *There is one big exception : the 
calculation of the Debye-Waller factor was disabled shortly after the 
publication of this paper, unfortunately".

Why this option has been disabled?
What is a problem with the calculation of the Debye-Waller factor?

Sincerely yours,
KR