[Wien] [Wien2k] Initialization of supercells made in PHONON

[Ghosh SUDDHASATTWA]

Dear Wien2k users, 

For a valid case.struct file made in Wien2k, if we call x supercell, and
modify it as per our choice, we have to initialize the SCF. 

If suppose we make a supercell in PHONON, then import it to Wien2k, then
what is the procedure for its initialization? 

 

Suddhasattwa 

 

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20100126/a4196d67/attachment.htm>