Your videos are very useful. Appreciate them. Have you noticed that, latest Materials Studio 2023 incorporates Nonlinear Optics calculations. However, I face an error with it. I will be thankful if you make a video on that.
Sir i import a crstal cell and known to check adsorption parameters. When i make supercell with increasing atoms layer adding Vacuum slab then lattice parameters values increase .It didn't match with original cell parameters. So, What i do.?
please make us a video on electron localization function ELF
Its already there,
ruclips.net/video/anoRlrcdei0/видео.htmlfeature=shared
@@quantumguruji Please ELF calculation in gaussian and multwifn
Your videos are very useful. Appreciate them. Have you noticed that, latest Materials Studio 2023 incorporates Nonlinear Optics calculations. However, I face an error with it. I will be thankful if you make a video on that.
hello dear
What are the steps to calculate bond dissociation enthalpy in gaussian? BED ?
Many thanks
A-B -> A - B
E (dissociation) = EAB - EA - EB
*Be careful about BSSE
How can I calculate the thermoelectric properties of compound through CASTEP
Follow my videos on geometry optimization, and select properties that you wanted to calculate.
@@quantumguruji
Okay sir thank
Sir I want to calculate Band structure of a material at two spin state. Will you please tell me how to do that? I'm using siesta 4.1.5.
Include spin polarization
Sir i import a crstal cell and known to check adsorption parameters. When i make supercell with increasing atoms layer adding Vacuum slab then lattice parameters values increase .It didn't match with original cell parameters. So, What i do.?
Supercell will have different cell parameters then its primitive unit. Its an obvious thing.
Sir, can you please help us in installing castep in windows or Linux?
Purchase this first, they will guide you.
@@quantumguruji Sir we have obtained an academic licence.
Which version do you use? I think the old version of MS is not implemented for HSE06.
Yes you are right, old version has HSE03 not HSE06.
Teacher time dependent DFT..........
Coming soon
It's available now, check the playlist