Sir, how we calculate band gap with SCAN method in Wien2k code ?
@seramrebikadevi482829 күн бұрын
How to calculate plasma frequency without any spin?
@sajjadshafi91522 ай бұрын
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
@sajjadshafi91522 ай бұрын
plz sir
@sajjadshafi91522 ай бұрын
how to find error or why error occur
@sajjadshafi91522 ай бұрын
how to solve
@sajjadshafi91522 ай бұрын
> stop error grep: lapw2*.error: No such file or directory NN - Error LAPW0 END hup: Command not found.
@hannahjeniffer72693 ай бұрын
Sir, here how can we calculate for up and down separately?
@parartha93123 ай бұрын
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?
@dekhosunnosamjhoo4 ай бұрын
But im faacing an issue on wien2k, Elastic property of spin polarized material it show ERROR status in eos___0.0
@dekhosunnosamjhoo4 ай бұрын
AOA Sir! I have been watching your videos that proved as very helpful for me'
@wajiw41145 ай бұрын
JAZAK ALLAH O KHAIR. Sir, YOU videos are very help full. May you stay happy and blessed throughout your life ameen suma ameen.
@user-cv9vs6zk5k5 ай бұрын
From where you see latice paramer
@user-st2xl8rc1e5 ай бұрын
why we use wein2k for theoretical study and how can we change bulk into tft and nano by using wein2k software
@hakimeyounes5 ай бұрын
Good😊
@hannahjeniffer72695 ай бұрын
Sir, what computer configuration do we need to run a doped/defect/composite system to report in publications?
@user-tl3xq9do3f5 ай бұрын
How to apply scissors correction in direct and indirect band gap semiconductors for optical properties calculations. In ink ram.
@mubashirhussain-gc6ys5 ай бұрын
Asslam o Alaikum Sir. If We have a doped system such as In-BaGeO than how can we select 'natorb;'
@user-kc1gx6ft9c6 ай бұрын
Thank you!!
@GyanodayBharti6 ай бұрын
please upload video in hindi
@pretty.9467 ай бұрын
What is the value of the uncertainty (ΔT ΔV).
@esmasemassel56627 ай бұрын
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
@arikpotemple49827 ай бұрын
Thank you sir How can I get the software
@imadsalym34797 ай бұрын
plz professor i have probleme (bash: export: `found.': not a valid identifier)
@Dchem997 ай бұрын
Thank you 👐🏼
@prof.oussama_8 ай бұрын
hello sir thnkx for demonstration but i faced a problem "Requires X-Windows system" , any helps !!
@rabahmoussa16508 ай бұрын
Dear professor, How to convert c/a values to the volume values ! In order to plot E vs V Thanks in advance
@sabaazhar47308 ай бұрын
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
@rabahmoussa16508 ай бұрын
Essalam alikom, Dear brother can you give me this script ?
@domel7879 ай бұрын
Sir really informative.... Sir can I use this script for my case as for hexagonal case???? Reply please sir
@fizzahurooj89229 ай бұрын
can you calculate elastic constants for hexagonal system?
@HarisArquam-ft6ot9 ай бұрын
Please help me
@pawanjoshi993810 ай бұрын
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
@Learning43210 ай бұрын
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
@mubashirhussain-gc6ys11 ай бұрын
Asslam o alaikum sir Can you know about magnetic anistropy calculations please make a video on this
@uzairfarooq273 Жыл бұрын
How to do calculation on gpu instead of cpu?
@pawanjoshi9938 Жыл бұрын
how to calculate remaining parameter like ZT from terminal
@domel787 Жыл бұрын
Thanks sir for such a nice tutorial..... Sir if I want to save the thermometer also then how I can do this??? Thanks sir
@moulayyoussefraia5600 Жыл бұрын
how we can use B3LYP in this case ?
@ahmedhegazy699 Жыл бұрын
Great work man, keep up!👏🏻👏🏻💪🏻
@musabd1545 Жыл бұрын
SALAM, what is QSGW METHOD ? PLEASE . AND THANKS .
@moulayyoussefraia5600 Жыл бұрын
Thank you for this videos. How can to expanded the studied energy scale towards 40 eV.
@hashtagpeace Жыл бұрын
really nice video and informative..
@KASHFIUDDIN Жыл бұрын
sir, after doing all of these it is showed in screen "Requires X-Windows system ........"What is the solution?
@neetumalik5009 Жыл бұрын
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
@domel787 Жыл бұрын
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......
@preetikumari18989 Жыл бұрын
Hello sir, When I am performing the same calculation for non magnetic case. I m getting an error. How to resolve that
@786.usmansaeed Жыл бұрын
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
@felipeoliveira8440 Жыл бұрын
Do you know how to calculate the photoelastic constants with wien2k?