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 !
wurzite optimized
Moderator: bguster
wurzite optimized
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GaNopt.in- (3.69 KiB) Downloaded 304 times