Dear Sir. I have windows 7 ultimate laptop.Quauntum expresso i like to use in my laptop.But i am unable to install it in my laptop please let me know how can i install it. Thank You

Thank you sir for your very illuminating video lectures. I am new in this field. How to make ready my system for TDDFT? Please help me.

Thank you so much for your great efforts for us. I have some queries 1) How to import .CIF and .XYZ file format to QuantumVITAS? 2) How to create a complex structures such as doped materials (e.g. Cd embedded MoS2 or others), defect-rich materials and heterojunction in QuantumVITAS or Are there any other software for graphical structure formation that allow importing structure to QV for simulation. 3) How to perform NEB for dissociation reactions (e.g. water dissociation) or surface reactions (e.g. peroxide generation)? PLEASE suggest and upload relevant videos. Thank you so much

Amazing contribution. Thank you so much. Could you please help me? I am unable access the quantumVITAS quick start, help me in downloading the pseudopotential libraries included Linux version of QuantumVITAS software?

Error in routine init_dofree (1): unknown cell_dofree ibrav how to solve this part?

Excellent video sir. Can u plz make a video on how to calculate raman spectra using vasp?

thank you!

Hello, will you please make a video showing how to do NEB calculations.

Are you indus alo ebat?

guide me for psmp

Спасибо огромное!!!

Hi everyone @QuatumNerd I have a question. I have used ipol =4 to calculate absorption, now It only writes the average of all three absorption directions, but I want it to be resolved in XX and YY directions separately. How to do that?

I love you

Thank you for the tutorials ! Your videos really help the beginners a lot.

I face segmentation fault..... memory invalid

hi, do you have tutorial on how to use this for the DMFT calculation? it is quite hard to decipher from the examples in the website and the reference manual

Hi sir. Your videos are very helpful. Can you show how to do molecular dynamics for MoS2 monolayer.

thanks!!

thanks!!!!!!

Hi! Firstly, thank you for your videos....ver helpful. Can you make a tutorial to install and compile cp2k. psmp? Thank you in advance

task # 0 from string_methods : error # 1 Neither a file to parse nor input files for each image found please help

After including U,should i go again through the steps of convergence of ecut,k points,vc relax...

This vasp loaded is not showing in my case. please help

I am getting negative phonon frequency in the phonon band using QE, despite of using much larger q-mesh, asm ? Kindly help

Anyone having experience with orbital resolved magnetic anisotropy using QE? Kindly reply. I need help regarding the projwfc.x output format for orbital magnetic anisotropy.

Anyone having experience with orbital resolved magnetic anisotropy using QE? Kindly reply. I need help regarding the projwfc.x output format for orbital magnetic anisotropy.

ibrav = 2 i think for Body centered cubic ibrav =3 for Face centered cubic ??

what if there are more than one ferromagetic atoms,starting magnetisation shall be ?

sir, even for calculation of density of states for a molecule do we still keep the k points as gamma points

It is a nice video for calculating Bulk modulus( thank you so much). I will be very happy if you publish such similar video on how to calculate elastic constants (C11, C12 and C44) for cubic materials.

In case of centos give the command 'yum install gcc-fortran' to install gfortran, before installing openmpi. Else the jobs would terminate giving mpi-based errors.

Please upload 11.2 in this series too.

Hi, What should be value of SYMPREC

Thank you very much for this information, please can you present the structure of H3O+

I have a request you ,can you make a video on how to cut a slab in VASP software ????/

could you calculate the band structure (not only bandgap).?

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?

I want to calculate Real and Imaginary parts of the absorption spectrum ie. nk data using it. Is possible?

intel parallel studio must be purchased now, what other type to replace intel parallel studio? gnu?

Dear sir, Please guide me how to restart a calculation from the point where it has stopped NMR calculation with Gipaw. I need to restart the calculation because of a restriction in the max cpu hour .

Dear sir, Please guide me how to restart a calculation from the point where it has stopped NMR calculation with Gipaw. I need to restart the calculation because of a restriction in the max cpu hour .

I have a question, and an error called "xml data file not found" occurs when running randomdisplacement after relax. I checked that the xml file exists normally in outdir, but why is that? It's a very helpful video.

Can one get orbital moment for SOC in quantum espresso?

Unfortunately, this package is deprecated (abandoned repository), and anyone who wants to install it will have to use an old version of Ubuntu (18.04), or make some changes to the installation.

This is ASMR.

Thanks a lot. I actually run my very first calculation with this tutorial. It really means a lot to me. need more of this

thanks for ur excellent videos，but i am confused of the difference along X-K between reference and calculation....

Sir , thank you a lot for your videos (e.g., how to calculate bulk modulus by QE and other videos). Would you make a video on how to calculate shear modulus by quantum espresso? Once again thank you and thank you in advance for your understanding me>

Remarkably interesting, thank you. But why do we have to perform scf and nscf at the same calculation?

你好，看起来你是中国人，是吗