====== Jacapo Example ======
These documents are parts of [[https://wiki.fysik.dtu.dk/dacapo/Examples|{{|dacapo/Examples}}]] originally created by prof. O. H. Nielsen.
They are translated into Japanese, transfered 
with [[https://wiki.fysik.dtu.dk/ase/|{{|ase3}}]]/[[https://wiki.fysik.dtu.dk/ase/ase/calculators/jacapo.html|{{|jacapo}}]], and modified for students belong to this laboratory, by K. Kakitani.

===== Contents =====
  - [[:seminar:co_mol|一酸化炭素分子]] (original title: CO molecule)
  - [[:seminar:co_opt|一酸化炭素分子の緩和]] (original title: Relaxing the CO molecule)
  - [[:seminar:al_eos|アルミニウム結晶の状態方程式]] (original title: Al Equation of State)
  - [[:seminar:h_on_co|コバルト(0001)表面の水素原子吸着]] (original title: H/Co(1000))
  - [[:seminar:co_dyn|制限付き構造緩和]] (original title: Using filters and dynamics)
  - 水分子の乖離(original title: h2o dissociation)
  - VTK plotting
  - Calculating a band diagram
  - Nudged Elastic Band
  - Vibrational Calculation
  - Dipole correction and electrostatic potential
  - [[:seminar:STM|Al(111)面のSTM像]] (original title: STM images - Al(100))
  - Localized Wannier orbitals
  - Transport calculations
  - Bayesian Error estimation in Density Functional Theory

[[:|トップページへもどる]]