wurzite optimized
Posted: Tue Dec 18, 2018 10:51 pm
Dear Abinit users and experts,
I want to know how to optimize lattice parameters of a wurtzite structure (binary compound eg. GaN).I mean a, c and internal parameter u?..
I don't know where can i found or insert the internal parameter in the input file !..
I attach an input file for this compound .
Thank you Abiniters !
I want to know how to optimize lattice parameters of a wurtzite structure (binary compound eg. GaN).I mean a, c and internal parameter u?..
I don't know where can i found or insert the internal parameter in the input file !..
I attach an input file for this compound .
Thank you Abiniters !