K.Y. | KYgraphy

VASP calculation of fcc Si bandstructure

Posted on 09.Feb.2019 by K.Y. / 0 Comment

Series of try VASP sample. “fcc Si bandstructure” here. cms.mpi.univie.ac.atFcc Si bandstructure - Vaspwikihttp://cms.mpi.univie.ac.at/wiki/index.php/Fcc_...

C/C++

Comparison between Mac Accelerate framework and Intel MKL

Posted on 09.Dec.2018 by K.Y. / 1 Comment

I installed intel MKL. So I want to compare intel MKL to Mac Accelerate Framework. Mac Accelerate is optimized to Mac. It’s interesting which is faster. I...

C/C++

Intel MKL on Mac

Posted on 09.Dec.2018 by K.Y. / 3 Comments

Intel Math Kernel Library (Intel MKL) is … a library of optimized math routines for science, engineering, and financial applications. Wikipedia (htt...

DFT

VASP Calculation for Density of States (fcc Si DOS)

Posted on 28.Nov.2018 by K.Y. / 3 Comments

Series of try VASP sample. “fcc Si DOS” here. cms.mpi.univie.ac.at 1 pocketFcc Si DOS - Vaspwikihttp://cms.mpi.univie.ac.at/wiki/index.php/Fcc_Si_DO...

DFT

Input and Output Files of VASP

Posted on 28.Nov.2018 by K.Y. / 0 Comment

A short explanation of input and output files of VASP. Input Files 4 files are required at least. These files are prepared in the same directory. INCAR: calcula...

DFT

My first VASP (fcc Si)

Posted on 27.Nov.2018 by K.Y. / 4 Comments

I start to use VASP. Now I start VASP with workshop example for fcc Si. cms.mpi.univie.ac.at 1 user 1 pocketVASP example calculations - Vaspwikihttp://cms.mpi.u...

C/C++

cblas on Mac

Posted on 27.Nov.2018 by K.Y. / 0 Comment

It’s very easy to use cblas on Mac. cblas is installed initially and you can use it now. cblas is included in Accelerate framework which is optimized for ...

C/C++

Getting started C/C++ on Mac

Posted on 26.Nov.2018 by K.Y. / 0 Comment

It’s very easy to start C/C++ on Mac. Install Xcode and Command line tools You need to install Xcode. Open App Store and install “Xcode”. ...