[QE-users] orbital resolved contribution in band diagram

Sohail Ahmad sohailphysics at yahoo.co.in
Sun Jan 6 12:05:15 CET 2019


Dear Experts !How can we extract orbital resolved contribution in band diagram using QE  ?In general we plot Band and PDOS separately but i wish to mention the orbitals linked to that particular band in band diagram as mentioned in Fig7 of paper Strain-modulated mechanical, electronic, and thermal transport properties of two-dimensional PdS2 from first-principles investigations



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Sohail Ahmad

King Khalid University


Abha, Saudi Arabia

Contact:   +966 (0) 556776986 (M)


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