Hello All,
Iam studying a system which is dirac semi-metal. I want to see the Dirac cone and need to know if somebody know how we can do that using Quantum espresso.
I can do the band structure calculations in Quantum espresso so familiar with espresso but need to explore it .
Thanks ,
Abhinav Nag
Dear Abhinav,
Can you elaborate more? In band structure, you may see it. What do you want to do more?
Abhinav,
If I am correct, once you compute the density of states (DOS), you'll immediately see the Dirac cone.
Hello,
I am new to QE i am trying to do SCF but i found this error
Parallel version (MPI), running on 1 processors
Waiting for input...
Reading input from standard input
Current dimensions of program PWSCF are:
Max number of different atomic species (ntypx) = 10
Max number of k-points (npk) = 40000
Max angular momentum in pseudopotentials (lmaxx) = 3
file Li.pbe-mt_fhi.UPF: wavefunction(s) 2p 4f renormalized
file Ni.pbe-mt_fhi.UPF: wavefunction(s) 2p 4f renormalized
file Co.pbe-mt_fhi.UPF: wavefunction(s) 4f renormalized
file P.pbe-mt_fhi.UPF: wavefunction(s) 4f renormalized
file O.pbe-mt_fhi.UPF: wavefunction(s) 4f renormalized
Message from routine setup:
the system is metallic, specify occupations
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine setup (1):
too few bands
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
ÿ
Please let me know how to overcome it
Hello Kiran ,
Have you included the block "nbnd".
IF not then do add that.
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