The ABINIT Users Mailing List ( CLOSED )

[Souraya Goumri-Said <Souraya.Goumri-Said@fundp.ac.be>]

Dear Abinitors,


I have a question about the the meaning of content of the
file : telast_3.in  used to run anaddb in order to extract the
elastic constants Cij

##########telast_3.in###########
!the input file for the
anaddb code

  elaflag  3  !the flag for the elastic constant
piezoflag  3  !the flag for the piezoelectric constant
instrflag  1  !the flag for the internal strain tensor

!the effective charge part
   chneut  1  !enforce Born effective charge
neutrality
# This line added when defaults were changed (v5.3) to keep the previous,
old behaviour
  asr 0
  symdynmat 0


Must we change the reported values when we treat different systems
?

Best regards,

Cordialement,
Sincerely yours,

====================================
Dr. Souraya Goumri-Said
Centre de recherche en Physique de la Matière et du Rayonnement (PMR)
Laboratoire de Physique du Solide
Facultés Universitaires Notre-Dame de la Paix
Rue de Bruxelles 61 - B - 5000 Namur
Tel : +32(0)81 72 47 01
Fax : +32(0)81 72 47 10
http://sourayagoumri-said.weebly.com/
email : Souraya.Goumri-Said@fundp.ac.be