Tieyuan BIAN

Installation with toolchains : unknown option -wd 279

6

Dear all, Recently I have tried to install cp2k-v2023.1 on HPC cluster, with gcc-v8.3.1, ifort-v2021.6.0. After I `./install_cp2k_toolchain.sh --with-sirius=no --with-openmpi=install --with-plumed=install` , it showed this error:  I cannot figure...

How to plot specific band with projected option?

1

Hi, I want to plot some specific bands such as VBM or CBM only, i.e VBM or CBM is plotted in projected way but other bands are plotted in normal...

Spin texture plot error

7

Hi, I tried to plot rashba spliting with pyprocar.fermi2D. Here is my command. ```python import pyprocar pyprocar.fermi2D(code='vasp',dirname='.', energy=1, spin_texture=True, no_arrow=True, arrow_projection='x', color_bar=True) ``` This command worked for BiSb example in...

Traceback (most recent call last): File "/media/polyucmp/DATA/BIAN_Tieyuan/yinjun/plot/mcu/test/original+LORBIT/ICHARG2/plot.py", line 6, in mymcu.plot_pband(style=1) TypeError: main.plot_pband() got an unexpected keyword argument 'style'

Hi, I have tried to use mcu to plot spin polarized band structure. My vasprun.xml and OUTCAR were generated with VASP 5.4.4. When I type `import mcu` `mymcu=mcu.VASP()` It showed...