I've tried your elf method using the files you suggested to use (WAVECAR and ex.py) in "exemples - elf_test".
However, when running the program, I get the following error : "No. of planewaves not consistent! 1165 1166 3375". If I understand this correctly, it means that the calculated number of planewaves is not the same as the number of planewaves contained in the WAVECAR file.
Have you an idea where this error could come from ? I'm a beginner with the Vasp calculations so I have certainly misunderstood or misused something.
Hello Qijing,
I've tried your elf method using the files you suggested to use (WAVECAR and ex.py) in "exemples - elf_test". However, when running the program, I get the following error : "No. of planewaves not consistent! 1165 1166 3375". If I understand this correctly, it means that the calculated number of planewaves is not the same as the number of planewaves contained in the WAVECAR file.
Have you an idea where this error could come from ? I'm a beginner with the Vasp calculations so I have certainly misunderstood or misused something.
Thank you sincerely,
giorn