[Wien] Structural deformation

arnaud.vasseur at caramail.com arnaud.vasseur at caramail.com
Wed Sep 1 14:31:15 CEST 2004


Structural deformation 

Dear wien user.

I would like to make lattice deformation to a cubic structure (Pm-3m) by doing a ferroelectric displacement along the [100] direction to the atom centred on the (0,0,0) position. Can some one indicate me if this possible using WIEN2K. 

Thank you and Best regards




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