@nikhiljoshi8209
Thanks
@mudasirrashid4026
Dear sir kindly please give me Idea obout how to optimise a system with different a b c (lattice constant) How to get lattice convergence and k point convergence in such a system
@SantoshKumarBehara
Thank you for the tutorial. Do I need to do K-point and E cut optimization before I start to do relax calculations ?
@muneebulhassan7832
very nice sir, can we adopt same command lines for linux terminal environment too?
@kkm5384
Hi Sir i am looking for Phonon spectrum calculation using QE. i tried with some method based on other video. but i am getting some errors etc. Did you do video on phonons?
@asmaaharby3045
Thanks for your tutorial. I try to k-point for Si and I follow all steps. But the resulted output is empty and it was written ( error in routine readapp). Could you please help me?
@PhononExplorer
sir for Orthorhombic crystal system what should be my testing k points
@priyambadaaiswarya1831
Sir how to choose k- points. I mean it depends upon what.
@marielrosales9618
thanks! Just a question ... if i have kpoints like this ... 2 1 1 how should i taste the kpoints_?
@seemab_fatima
Salam! Sir can you please guide me that how we choose the values of ibrav, ecutwfc and ß? Do we take these values from review articles?
@urwashigupta3142
thanks for such an informative video. it is really good content. Could you please help me with this error:
*Error in routine read_namelists (1):
bad line in namelist &system: " 3 3 3 0 0 0" (error could be in the previ$*
and one more error in another calculation:
*Error in routine read_namelists (1):
bad line in namelist &system: " 3 3 3 0 0 0" (error could be in the previ$*
@asmaaharby3045
Do I need k- point, ecut and relax calculations for band structure calculations?
@echuen4149
Hi sir, just wondering why does k points 20 20 20 give a more accurate result than 2 2 2? This might be a silly question I know
@jyotiphysics8323