subject:"\[Wien\] optimisation 4 D"

Re: [Wien] optimisation 4 D

2016-05-10 Thread Tomas Kana

them. Then, you can run volume Ortho for different values of the gamma angle and make a plot and determine a minimum. HTH Tomas -- Původní zpráva -- Od: Gavin Abo Komu: A Mailing list for WIEN2k users Datum: 10. 5. 2016 3:16:06 Předmět: Re: [Wien] optimisation 4 D

Re: [Wien] optimisation 4 D

2016-05-09 Thread Gavin Abo

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

[Wien] optimisation 4 D

2016-05-09 Thread ADIL ES-SMAIRI

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