• Home_icon
  • >
  • CLASS
  • >
  • Electronic Structure Theory

2012 2012 Practice

2014.03.19 21:21

관리자 Views:12845

Practice #1

Tutorial for pseudopotetial generation.

 

Practice #2

Cutoff, k-points, lattice constant vs. Energy

 

Practive #3

How to make DOS, band structure and wave function using pwscf.

 

Practice #4

Making the supercell and supercell with defects.

Calculating the defect formation energy.

 

Practice #5

Spin-polarized calculation of oxygen molecule and bcc iron.

I want to
Profile
List
List
No. Subject Author Date Views
13 2010 Syllabus file 관리자 2014.03.19 14160
12 2010 A Demonstration of how to use XCrySDen file 관리자 2014.03.19 13921
11 2010 vasp visualization file 관리자 2014.03.19 12935
» 2012 Practice file 관리자 2014.03.19 12845
9 2010 Practice 관리자 2014.03.19 12664
8 2009 Lecture Material file 관리자 2014.03.19 12334
7 2009 Lecture Material_2 file 관리자 2014.03.19 11905
6 2015 Practice #0~2 file 관리자 2015.09.11 11634
5 2013 Practice file 관리자 2014.03.19 11494
4 2015 Practice #3~4 file 관리자 2015.11.06 11420
3 2009 Syllabus file 관리자 2014.03.19 11389
2 2013 Syllabus file 관리자 2014.03.19 11316
1 2011 Syllabus file 관리자 2014.03.19 11227
Write
Tag