[Wien] case.d45

[jafari]

Dear users

I want to start my  calculation on  frozen phonon for Ti.

I have worked by w2web interface and i want to plot energy curves.

after generating supercell , my problem is  :

1)how to displace atoms correctly .

2) how could i generate case.d45 in wien2k?

   It is necessary for  init_phonon to have case.d45

For your information:  my version is wien2k_8.03. I am using the suse 11.0(x86_64)and  intel fortran and mkl 11.0(package 11.0.069) for 64bit compiler. 
I will be thankful to have your answer.
  Best Regards,

     M. Jafari
------------------------------------- 
K. N. Toosi University of Technology 
Departement of physics 
fax:+98 21 22853650 
Tel:+98 21 22857080 
jafari at kntu.ac.ir 
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