Sir i write in command prompt but it is says that vi is not recognized as an internal or external command.. Please help me sir as i am an intern and i have to understand it.
just creat a file name band.conf and write the required tags(DIMs, BandPoints, BandLabels) for phonon band structure, use the phonopy command and get the results
I am not getting your point, important tags of INCAR or band.conf. In case of dynamic stability, you need only 4 tags in band.conf to check imaginary phonons for stability and this is post process @@farahshehzadi6355
File "/usr/lib/python3/dist-packages/phonopy/harmonic/force_constants.py", line 842, in _get_sym_mappings_from_permutations raise ValueError(text) ValueError: Input forces are not enough to calculate force constants,or something wrong (e.g. crystal structure does not match). I am facing this error when applying phonopy -p -s band.conf in vasp
Thank you sir. How we the viewers and subscribers can access the scripts. With thanks and regards
Can you please explain band structure with GGA+U method
Please make a video on thermal correction using vasp
2:01 - Demonstration starts!
excellent video, subscribed>>>
If you can please make a video for calculating thermal conductivity calculations using phono3py.
okay, I will try in my free time bro!
Sir, I have sent you email for script. Can you please share the script
How can to create band.conf ? Thanks
very nice
Sir i write in command prompt but it is says that vi is not recognized as an internal or external command..
Please help me sir as i am an intern and i have to understand it.
Hi, could you please tell me, why in my band plot, I have only phonon spectrum and I don't have the DOS on the right side
can we use this method with quantum espresso??
Yes, we can! just modify the command a little bit from the Phonopy website.
How can to create band.conf ?
just creat a file name band.conf and write the required tags(DIMs, BandPoints, BandLabels) for phonon band structure, use the phonopy command and get the results
@@jawadhussain3372 ok do you know important tags in vasp in order to converge structure to stability while calculating phonon calculations?
I am not getting your point, important tags of INCAR or band.conf. In case of dynamic stability, you need only 4 tags in band.conf to check imaginary phonons for stability and this is post process @@farahshehzadi6355
File "/usr/lib/python3/dist-packages/phonopy/harmonic/force_constants.py", line 842, in _get_sym_mappings_from_permutations
raise ValueError(text)
ValueError: Input forces are not enough to calculate force constants,or something wrong (e.g. crystal structure does not match). I am facing this error when applying phonopy -p -s band.conf in vasp