Open wxsongsh opened 3 years ago
Dear Prof. Zheng,
I want to use this code to get the IPR from the WAVECAR. What python script can I use?
I read the vaspwfc.py. I use the following script to obtain the ipr.npy file.
#!/usr/bin/env python import numpy as np from vaspwfc import vaspwfc xx = vaspwfc('./WAVECAR') ipr = xx.inverse_participation_ratio() a=np.load('ipr.npy') a.shape !a is a (1, 1, 672, 3) 4-D array.
What is the meaning of the 4-D array, particularly the last dimension? (nspin, NKPTS, NBANDS, ???)
I want to plot the "energy(x) vs IPR(y)" curlve. How can I deal with the data in ipr.npy?
Thanks!
Dear Prof. Zheng,
I want to use this code to get the IPR from the WAVECAR. What python script can I use?
I read the vaspwfc.py. I use the following script to obtain the ipr.npy file.
What is the meaning of the 4-D array, particularly the last dimension? (nspin, NKPTS, NBANDS, ???)
I want to plot the "energy(x) vs IPR(y)" curlve. How can I deal with the data in ipr.npy?
Thanks!