Sir, how we calculate band gap with SCAN method in Wien2k code ?

How to calculate plasma frequency without any spin?

i made structure of kcrf3 which is cubic than initilaiztion i run scf after scf i plot band stucture optical properties also band structure than again i go to structure and after initizaltion i come to opimization all is crrect but it last error occur

plz sir

how to find error or why error occur

how to solve

> stop error grep: lapw2*.error: No such file or directory NN - Error LAPW0 END hup: Command not found.

Sir, here how can we calculate for up and down separately?

I got a problem while doing this, my directory is in wein2k but IRelast is in wein2k 21.1.then its going to Irelast and showing command not found. Also dstart is crashing Dstartpara destart.def file is failed to run. I followed up all your steps but i coudnt make it.can you solve this problem?

But im faacing an issue on wien2k, Elastic property of spin polarized material it show ERROR status in eos___0.0

AOA Sir! I have been watching your videos that proved as very helpful for me'

JAZAK ALLAH O KHAIR. Sir, YOU videos are very help full. May you stay happy and blessed throughout your life ameen suma ameen.

From where you see latice paramer

why we use wein2k for theoretical study and how can we change bulk into tft and nano by using wein2k software

Good😊

Sir, what computer configuration do we need to run a doped/defect/composite system to report in publications?

How to apply scissors correction in direct and indirect band gap semiconductors for optical properties calculations. In ink ram.

Asslam o Alaikum Sir. If We have a doped system such as In-BaGeO than how can we select 'natorb;'

Thank you!!

please upload video in hindi

What is the value of the uncertainty (ΔT ΔV).

hello, sir, can you help me, I installed Boltztrap2 and we displayed it in the Wien2k interface, when we execute the calculation step, you did not display the result, the .trace file is empty .Thank you

Thank you sir How can I get the software

plz professor i have probleme (bash: export: `found.': not a valid identifier)

Thank you 👐🏼

hello sir thnkx for demonstration but i faced a problem "Requires X-Windows system" , any helps !!

Dear professor, How to convert c/a values to the volume values ! In order to plot E vs V Thanks in advance

Aoa sir Sir ya "splitting of equivalent poition not availble please select lattice type" Sir iska kia mean Ap plz isy bta dain issy mery compond py calculation ni hn re c/a result ajata but jb ma min value ly k volume otimaziation krty uska result ni ata straight line ajaty plz isky bary my btyw

Essalam alikom, Dear brother can you give me this script ?

Sir really informative.... Sir can I use this script for my case as for hexagonal case???? Reply please sir

can you calculate elastic constants for hexagonal system?

Please help me

I need plot seebeck coefficient as a function of temperature at fixed chemical potential. But in .trace output file there are lots of energy. Which should be choosen and how to perform this plot sir

Please make a video, of how we can fix the atoms ( TTT FFF) tags using the " selective dynamics method" using VASPKIT or manually to reduce computational cost during optimization

Asslam o alaikum sir Can you know about magnetic anistropy calculations please make a video on this

How to do calculation on gpu instead of cpu?

how to calculate remaining parameter like ZT from terminal

Thanks sir for such a nice tutorial..... Sir if I want to save the thermometer also then how I can do this??? Thanks sir

how we can use B3LYP in this case ?

Great work man, keep up!👏🏻👏🏻💪🏻

SALAM, what is QSGW METHOD ? PLEASE . AND THANKS .

Thank you for this videos. How can to expanded the studied energy scale towards 40 eV.

really nice video and informative..

sir, after doing all of these it is showed in screen "Requires X-Windows system ........"What is the solution?

Hello Sir, I am trying to do calculation but during structure generation when I take rmt 2 it's not picking up the value, everytime it shows 0 rmt. I am doing same as you for TiC. Please guide

Sir if we want to plot other transport parameter like Conductivity vs temperature then what will be the command for it???? Please sir thank you so much......

Hello sir, When I am performing the same calculation for non magnetic case. I m getting an error. How to resolve that

sir how to give shotcut name to a big commond of Charge and energy convergence like we use cc] in place of [grep ":DIS" a01.scf] in our lab computers

Do you know how to calculate the photoelastic constants with wien2k?

How to get a results of b/a ratio bhai.