[Wien] Hi. I have some questions about tasks. (main purpose)

[Parker, David S.]

Youngbeam, there are a tremendous number of things one can do with WIEN2K or other reliable DFT codes such as VASP etc - band gaps and transport properties of semiconductors, magnetic materials including magnetization, magnetic anisotropy and Curie temperature, etc - the list is almost endless.  Alas, so is the expertise required to do these calculations properly.  It is difficult and impractical to teach all these things vie e-mail.  You are presumably a student at a major university in Korea.  What I suggest you do is find someone at your university who does first principles calculations - there should be someone, people do this worldwide - and indicate your interest in doing research using first principles calculations.  That is likely your best avenue for approaching this.  Good luck - David Parker

-----Original Message-----
From: wien-bounces at zeus.theochem.tuwien.ac.at [mailto:wien-bounces at zeus.theochem.tuwien.ac.at] On Behalf Of Youngbeom Cho
Sent: Sunday, August 02, 2015 2:00 PM
To: wien at zeus.theochem.tuwien.ac.at
Subject: [Wien] Hi. I have some questions about tasks. (main purpose)

Hi. I'm a college student interested in WIEN2k.
My WIEN2k's version is 14.2.
I've used this simulation for a month.
I have majored in electronic engineering. but sadly i am not good at 
solid state physics. To make matters worse, i'm not good at English too.
so, i really need your kind helps. there are some questions.

1) what is the main purpose(the targets) of this simulations??
what kinds of parameter did you use to get?
There are examples that i had gotten. -> Energy band gap, kind of 
material(semi-conductor and so on), direct or indirect bandgap 
semi-conductor.

2) Are there any other important parameters that i can extract from 
those SCF files? if so, please teach me.

3) Are there anyone who kindly be my pen-pal teacher or friend?
I have many questions about solid state physics. so i need a really kind 
teacher, friend majoring in physics and so on..,,

My e-mail address is jj2928 at naver.com
thank you for reading.




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