A 4D optimization is possible with WIEN2k 14.2 as you can see in section
"5.3 Structure optimization" of the usersguide [
http://www.wien2k.at/reg_user/textbooks/usersguide.pdf ], where it has:
/
//VARY A, B, C and Gamma (//4D//-case) (monoclinic lattice)//
//
//For optimization of more degrees
Dear,Dr Blaha. I have a question concerning the 4D optimization in wien2k it
is run under WIEN2k 2014 if yes what is the procedure.
Cordially
--
Adil ES-SMAIRI
PhD Student at university of Sultan Moulay Slimane
Departement of
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