Installation

• 解压压缩包：

  tar -zxvf vaspkit.0.80.tar.gz
  

• 配置：

  cd vaspkit.0.80
  cp -f how_to_set_environment_variable ~/.vaspkit
  vi ~/.vaspkit
  
  # cp how_to_set_environment_variable ~/.vaspkit and modify the ~/.vaspkit 
  
  VASP5                    .TRUE.             # .TRUE. or .FALSE.; Set .FALSE. if vasp.4.x 
  GGA_PATH                 '~/POTCAR/GGA'     #  Path of GGA potential. 
  PBE_PATH                 '~/POTCAR/PBE'     #  Path of PBE potential. 
  LDA_PATH                 '~/POTCAR/LDA'     #  Path of LDA potential. 
  POTCAR_TYPE               PBE               #  PBE, GGA or LDA; 
  GW_POTCAR                .FALSE.            # .TRUE. or .FALSE.;
  RECOMMENDED_POTCAR       .TRUE.             # .TRUE. or .FALSE.; 
  MINI_INCAR               .FALSE.            # .TRUE. or .FALSE.; 
  SET_FERMI_ENERGY_ZERO    .TRUE.             # .TRUE. or .FALSE.;  
  SET_INCAR_WRITE_MODE     BACK-UP-OLD        #  OVERRIDE, APPEND,BACK-UP-OLD,BACK-UP-NEW;
  

• 设置环境变量：

  echo 'export PATH=/home/vaspkit.0.80/bin/:$PATH' >> ~/.bashrc
  source ~/.bashrc
  

• 某些作图功能需要python环境：（在~/.vaspkit中设置）

  PYTHON_VERSION           3 
  PLOT_MATPLOTLIB          .TURE.