Zcc

some problems with compling the abinit

1

I installed NetCDF and NetCDF FORTRAN through RPM package and compilation, but they could not recognize them，how to solver the problem. 

Hello sir, 1.I want to draw a combination of dos and band,but it report error as followed Traceback (most recent call last): File "/data/home/js_lili/zc/hardness/CrN/scf/nm/dos.py", line 2, in pyprocar.bandsdosplot(bands_file='band/PROCAR',outcar='band/OUTCAR',dos_file='dos/vasprun.xml',bands_mode='plain',dos_mode='plain',elimit=[-10,5],kpointsfile='band/KPOINTS',grid=True,savefig='band.png') File "/data/home/js_lili/.conda/envs/js_lili/lib/python3.9/site-packages/pyprocar/scriptBandsDosplot.py",...

### ⚠️ Search for existing issues first ⚠️ - [X] I have searched the existing issues, and there is no existing issue for my problem ### Which Operating System are...

I ran procar.py and everything ran smoothly. I used the following command: "procar.py bandsplot --outcar OUTCAR-scf PROCAR-repaired --mode parametric --cmap cmap --vmin cmap --vmin vmin --vmax vmax -a0123 -s1 --elimit...

some questions with QE if ibrav=0

2

if ibrav =0 ,when i use the scripts, it report that ValueError: Coordinate format (crystal) in input file not known,how to resolve it [MoNbB4.txt](https://github.com/henriquemiranda/phononwebsite/files/10729629/MoNbB4.txt)

with my input , my system is a semimetal, why it report vaspberry -kx 5 -ky 13 -ii 30 -if 38 -ne 38 *nj error - computed NPL= 3168 !=...

Questions for using `pyw90 eig` command for spinful system

2

Dear Sir I hope this email finds you well. I am writing to seek guidance regarding the determination of an appropriate fitting window for my analysis. After carefully studying the...