[QE-users] f-orbital order in projwfc.x

Soumyadeep soumyadeep at rrcat.gov.in
Mon Sep 21 14:39:41 CEST 2020


Dear All,

    In projwfc.x input description order of p,d orbitals are given 
(https://www.quantum-espresso.org/Doc/INPUT_PROJWFC.html). But what is 
the orbital order in case of f-orbitals?

    I need this information for orbital projected band structure 
calculation.

with many thanks and best regards
Soumyadeep
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Soumyadeep Ghosh,
Senior Research Fellow,
Homi Bhabha National Institute (HBNI),
Raja Ramanna Centre for Advanced Technology, Indore, India-452013
Mob: (+91)9424664553
User Lab: 0731244-2580
Email: soumyadeepghosh35 at gmail.com, soumyadeep at rrcat.gov.in
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