vasp tutorial: 9. Si crystal DOS, bands, projected DOS & projected bands

[@betacenturion237]

As a fellow condensed matter boi starting my first Summer of graduate research this one video has been immensely helpful! keep up the great work!

[@jawadhussain3372]

Thanks I have learnt a few things as a beginner in this area of research

[@tahirakhan5842]

How to specify KPOINTS for the Band calculations? I there any rule to follow?

[@chikououettar6531]

I'd like to thank you very much for this useful videos and guidance, you really helped us a lot as beginners. I just a have a little request : could please do us a video about how to extract data from an article. I mean how to begin creating the POSCAR, and then how to fill the INCAR file and KPOINTS. Thank you in advance

[@_The_Alchemist_]

Why do we need ISIF 3 for Si? We know it's a cubic structure with fixed positions. Can't we take ISIF 7 and relax only volume? Your reply would be a great help.

[@harishabibi8991]

Can you please tell me how to generate KPOINTS for HSE06 band structure calculations

[@zeromile5704]

Can you help me with the HSE06 band structure calculation ?

[@nikitasiverin]

Very usefull! Go on, and please add some examples with magnetism (antiferromagnets)

[@mahrouchefayssal1676]

thank you so much Hope to add some examples on magnetism and GW

[@josephkaore5809]

How do we determine the correct K-point grid to be used in the KPOINT file? Do we do the following below to use the reciprocal vector as the K-point gird? b1 = 2pi (a1 x a2)/a1*a2 x a3 ...etc?

[@wishabc6465]

Hi, What should be value of SYMPREC

[@rabiafarooq4815]

hi this was really helpful, i just got an error in last step for band calculation and it says error is at KPOINTS line 4 which is reciprocal .,,,, what does it mean?

[@mdazaharuddinahmed1794]

Plz give some examples on polarization calculation in vasp

[@chenchengliu9]

Nice video. But I have one problem when I check my EIGENVAL file from the second step, I actually got 64 bands instead of 8 bands and my energy range is roughly -6~74. So when I plotting the DOS, the energy rang is also that large. Why would that happened? Thank you!

[@mengli6800]

Hi there, I am very appreciated for your tutorial videos. Just one question, when you calculate the dos and band structure, is it more reasonable to load the vasp_ncl mode, rather than vasp_std module?

[@salemhebri444]

Thank you for this tuto. Please do you have a tuto to use phonopy with wien2k. Thanks again

[@jawadhussain3372]

Can you please make a video for optical properties

[@nandiindrajit8451]

Very Informative video. Thanks!!

[@kkm5384]

hi my p4vasp is asking for PyGTK etc. do you have any idea how to invoke this/ sort this out?

[@andresgomez6575]

I uninstalled both the PyGTK and p4vasp completely, and reinstalled them and it worked fine.

[@kkm5384]

@@andresgomez6575 Thanks for the reply. But how to get PyGTK? if i go to the website they suggest, its like having so many links and not sure which one is actually relevant ..i am lost to locate what and which one to install?

[@AnilKumar-bt8rl]

Than you very much for giving such wonderful knowledge. Can u please make a video on Habbard factor i.e. U ?

[@benhafidrabia4640]

Thank you very much for this useful video

[@shahfahad1854]

Please execute Mbj calculation for Si. Thanks for work

[@psalm1162]

Awesome video! Thank you ❤

[@F.a.t.i.h.h.]

Perfect💯👏

[@piyushsahu1746]

Love it

[@mdazaharuddinahmed1794]

Calculation for ferroelectric and antiferroelectric phases

[@챈-i9x]

thank you!!!

[@kkm5384]

no replies given to queries of users. whats the use of this video making then? its one sided...

[@gabrielvinicius9855]

I agree somehow.. but don't you think it is better than nothing?

[@tastemaster]

@@gabrielvinicius9855 enjoy