Thank you so much , keep posting this kind of tutorials
Thanks, can you please make some video on NEB calculation and on solvent model using quantum espresso.
PBE functional is not available in gaussion only PBEPBE is available .if we want to use specifically PBE than how we can use?
How can l optimize TIO2 nanocluster- organic molecule complex using quantum espresso
Thanks, extremely useful. Keep it up.
Really good and unique job keep it
Can you make a tutorial on how to guess transition state by using quantum ESPRESSO
And how we can form nanuclusters or nano cages ??
Thanks for the video. Can you please share the literature link you told in the video??
thank you for the wonderful tutorial. I have already completed dft calculations on graphene and now working on C_n Zn cluster (n= 1-10), and i m stucked at making input file for it. Could you help me to build up unit cell ?? can i mail you my input file so that you can help me. Please
What is the "free" option in the Bravais lattice list?
how can i create core shell nanostructure in burai (or any other package)?
Thanks
If we want to calculate bandstructure of a quantum dot, say CdSe. Then what will be the path of high symmetry points? Original cell structure or simple cubic?
Thank you for video. Can you calculate the adsorption of an organic compound on the metal surface?
thank you so much very nice video, how much time required to calculate .............
I have one more question regarding nanomaterials. Can we calculate DOS for a quantum dot? I suppose that it should be like Dirac-delta function spikes! Am I correct? How I can do these with DFT? Many thanks.
Thanks it was a very good tutorial. Can you please help me with building ZnO clusters of different sizes (n=1-12)? Thanks in advance.
Thanks for this useful video. Can you help me Manas? I am trying to run BURAI on windows 10. But it is not picking up pseudo potentials (path issue or /). I have MSMPI v10. Can you provide me your email? Urgent please🙂
@장수연-m9g