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band-unfolding / bandup

BandUP: Band Unfolding code for Plane-wave based calculations
http://www.ifm.liu.se/theomod/compphys/band-unfolding
GNU General Public License v3.0
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orbital projection #22

Open qianliu10 opened 3 years ago

qianliu10 commented 3 years ago

Hi all, Does orbital projection can be gotten by BandUp code when spin-orbital coupling(SOC) is turned on? I can get the orbital projection without SOC. However, when SOC is turned on, I didn't get the right orbital projection. If this feature is implemented, whether any parameter setting is different from without SOC case? Thanks all of you very much.

cai-xiaomeng commented 3 years ago

Hi, I also need orbital projection. Can you send me your .sh script for this orbital projection? Thank you so much! I have tried to write myself but never succeed. @qianliu10

qianliu10 commented 3 years ago

i only use two parameters, -orbs and -atom_indices, the .sh script looks like: -orbs s -atom_indices 97-105

qianliu10 commented 3 years ago

sorry for the late reply. i only use two parameters, -orbs and -atom_indices, the .sh script looks like: -orbs s -atom_indices 97-105

@.***

From: cai-xiaomeng Date: 2021-04-20 17:09 To: band-unfolding/bandup CC: qianliu10; Author Subject: Re: [band-unfolding/bandup] orbital projection (#22) hi, I also need orbital projection. Can you send me your .sh script for this orbital projection? Thank you so much! I have tried to write myself but never succeed. — You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub, or unsubscribe.