Відео

CAN WE DO 2D LATERAL HETEROSTRUCTURE BAND DIAGRAM HERE IN BURAI?

Sir, why are you no longer uploading your lecture series on material science? Please assist us; it has been years since you made one.🙏🙏🙏

Really a helpfull video. Sir, is EELS the actual loss function?

sir some bonds are missing in structure while opening the vesta structure in Burai

while running the band gap of the compound it is showing error. what to do sir

does it work for PAW?

Hoe long it takes to calculate the Charge density ????

How and from where to get the pseudo potentials suitable for optical property calculations? which type of potentials are to be used?

How did you incorporate the "GGA-PBE" Exchange correlation in your input file? I can see "input_dft='pbe'" ---> Does this mean "GGA-PBE" exchange correlation is incorporated?

Sir , can you tell me how to calculate Refractive index

Hello Sir can we use K-points {tpiba_b} for the calculation?

Thank you so much , well-appreciated

Thank you for this series of incredible videos. Keep up the good work professor.

Thanks a ton! Its not this simple when others explain these subjects . Keep the good work please

Sir, can you please discuss on how to get the pressure dependent bandstructures for high pressure calculations?

Hi sir, may I know how can I get the HOMO and LUMO? What parameter is corresponding to HOMO LUMO ? thank you

Hi sir, may I know how can I get the HOMO and LUMO? What parameter is corresponding to HOMO LUMO ? thank you

next types of PP and their use in flags and in cards........waiting to see

Sir for ibrav=0 , how to set CELL_PARAMETERS{alat}

How do you update the atomic positions after running the vc-relax calculations. Do you also need to update the atomic positions for a nscf calculation following scf? What output files of a vc-relax calculation are used for a scf calculation?

Sir how to choose k- points

Sir, I'm having problem to run the scf calculation. It says command: pw.exe -in espresso.in. can you help me to solve this?

Nice initiative. Do you have pdos calculation guidelines?

Sir ELF calculation is missing. Could please share the information of pp.elf.in?

got idea about cards and flags.but in celldm(1)=.................do. why do?what is this?

Thank you so much for your content. All your videos are beneficial. I have a query, though. I'm trying to reproduce results obtained from a paper. Among other parameters used to build their cell, they have written: 'four-layer slab was used with the atoms in the bottom two layers were fixed to their bulk positions ' Can you please help me accomplish this using BURAI?

Sir, the video very helpful. Can you tell me how to chose at which value of isovalue should plot Charge density, ELF.

Hello sir, thank you for making such videos. Can u please tell how to get bond length n angle using burai software. Please respond 🙏.

A bit off topic, but we shouldn't use the same k-path for band structure and DOS. DOS requires a larger grid than the scf calculation.

hello sir, hope youre doing well. May i Know your computer specification? Are you running this on a virtual machine?

Thank you so much sir🙏🙏🙏🙏🙏

Hello sir. I have some problem. when i finish my band calculation. so i dont have dat.gnu file. i have only band.dat file. but dont get dat.gnu.

Excellent sir.

Really impressed 👍

This tutorial is very informative and useful. Sir, can you make a tutorial on absorption spectra, refractive index, excitation coefficient?

can i do soc scf calculation in burai ? i am not able to download full relativistic pseudopotentials into the burai. please help me regading the problem

Sir how did you make the input files that you have saved in the calculation file?

Thank you much! Could you share the calculation files of MoS2?

Sir I have both quantum espresso 6.4.1 & qe 6.7 . I want to remove 6.4.1. how to do it sir??

Dear Sir, Great work and very informative. Please make a continuous video by running one quantum espresso example on HPC.

Sir could you tell me what configuration of computer should we buy for electronic. optical and magnetic calculation of nanocrsytals

thank you sir for this wonderful explanation

Thank you very much, well explained and detailed.

Thank you Sir, your content is so good for the beginners like me. Please do make one video on modelling twisted bilayer graphene using the CIF files available on the web.

Sir, Thank you for this great explanation , keep it up. Nice video

Cara, muito obrigado por ter gravado esses tutoriais. Meus parabéns pelo trabalho, e bela iniciativa a sua!

Thank you for this valuable information. Could you please do a video on Nudged Elastic Band (NEB) calculations?

👏👏👏👏👏👏👏👏👏😊😊😊😊😊😊😊😊 Keep it dear doing outstanding

Good Work Sir, Are you working on the phonon calculations?

Hai sir, Again, very informative video. Recently, I have read one article in computational material science journal named “High-throughput electronic band structure calculations: Challenges and tools”. It contains the information of high symmetry k-points path for all crystal types. Is it reasonable to go with the whole path or could you please suggest the acceptable path in research publications for rhombohedral cell?