السلام عليكم ممكن تتحدث معي بالعربية انا اعمل على نفس الكود اشرح لي مشكلتك بالتفصيل وانشاء الله نستطيع الايجاد الحل لها
On Sat, Dec 17, 2011 at 2:47 PM, majid fathiyan <[email protected]>wrote: > in the name of God > I am sorry for not explaining about my question, it is because of my > weakness in english, > I am working on cu(111) slab. I have 15 layer, and I want to optimize > my lattice constant. but I don`t know how to do it correctly. > I tried to change my lattice constant and calculate the total energy > and draw the diagram of lattice constant according to total energy but > the lattice constant which have the smallest total energy is so biger > that my experimental lattice constant. > so if any body knows how can I optimize my lattice constant please let me > know. > thank you. > -- *Nibras Mossa Umran* *PhD,Research Scholar * *Panjab University ** * *Chandigarh** * *I**ndia.*
