Installation

Download the package

Starting with version WIEN2k v14, BerryPI is included and can be found in ${WIENROOT}/SRC_BerryPI/BerryPI

To update BerryPI use one of the following methods:

• Preferred via GitHub

  cd ${WIENROOT}/SRC_BerryPI
  mv BerryPI BerryPI-YYYY-MM-DD
  git clone https://github.com/rubel75/BerryPI.git
  

• Download BerryPI off the Github repository via 'Download ZIP' and extract BerryPI out of ZIP compression (Ex: unzip master.zip, tar -xzvf master.zip). Replace the content of ${WIENROOT}/SRC_BerryPI/BerryPI

• wget https://github.com/spichardo/BerryPI/archive/master.zip and extract BerryPI out of ZIP compression (Ex: unzip master.zip, tar -xzvf master.zip). Replace the content of ${WIENROOT}/SRC_BerryPI/BerryPI

Installation

• Run the following commands

  cd ${WIENROOT}
  ln -s SRC_BerryPI/BerryPI/berrypi berrypi
  chmod u+x SRC_BerryPI/BerryPI/berrypi
  

• For python 3.X compatibility

  cp ${WIENROOT}/SRC_BerryPI/BerryPI/utils/write_inwf_lapw ${WIENROOT}
  chmod u+x ${WIENROOT}/write_inwf_lapw
  

Dependencies

• WIEN2k (tested against v19.2)
• WIEN2WANNIER (now part of the Wien2k distribution)
• Python (tested against 2.7.14 and 3.7.4)
• NumPy (tested against 1.16.0)