The ABINIT Users Mailing List ( CLOSED )

[xhongjun <xhongjun@mail.ustc.edu.cn>]

Dear abinitioners,
   I want to get the eigenvectors of phonon modes in the Gamma point.
   Because abinis did not output this information,I think anaddb would 
do this job.I have tried to use anaddb but anaddb did not work properly:
The last ouput is "
================================================================================

 Treat the first list of vectors

-begin at tcpu      0.080  and twall      0.227 sec
 gtblk9 : enter gtblk9
 gtblk9 : found blok number     1 agree with specifications
 asria9 : imposition of the ASR for the interatomic forces.
 anaddb    : enter phfrq3
-begin at tcpu      0.080  and twall      0.229 sec
  in anaddb with start phfrq3
",after that anaddb didn't output anything even an hour later.

ab.file contains:
anaddb.in
anaddb.out
ddb
moldyn

anaddb.in contains:
!Input file for the ifc code.

!Flags
 dieflag   0     ! 2=> electronic dielectric tensor only

!Effective charges
     asr   1     ! Acoustic Sum Rule. 1 => imposed asymetrically

!Eigenvectors
  eivec    1

!Wavevector list number 1 (Reduced coordinates and normalization factor)
  nph1l    1      ! number of phonons in list 1
  qph1l 0.0 0.0 0.0    1.0


Any comments are welcome.

Best regards.

===================================================
   HongJun Xiang
   Ph.D. Candidate
   Open Laboratory of Bond Selective Chemistry,
   University of Science and Technology of China,
   Hefei, Anhui, 230026,
   People's Republic of China
   Tel.: 86-551-3603748,3603418
   Fax.: 86-551-3602969
===================================================