Lecture-10 : Projected Density of States (PDOS) Analysis using SIESTA - Dr. Mohan L Verma

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Siesta India : Hands on Tutorials on Molecular Modeling

Siesta India : Hands on Tutorials on Molecular Modeling

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@kanchantiwari9182
@kanchantiwari9182 7 жыл бұрын
Its is the simplest way to learn siesta....I waiting eagerly to watch next video...I have recently joined your channel and extremely excited to learn more
@himalaykolavada
@himalaykolavada 3 жыл бұрын
thank you very much sir for providing the script. your video gives us a brief explanation about siesta. I will recommend your video to other students.
@amalyassin6900
@amalyassin6900 2 жыл бұрын
Dr i want to create dat files for pdos for cobalt doped in graphene. So how change (n,l,m) in the m.orbutal_chooser to calculate the interaction inter bands as 3dxy, 3dyz, etc...?
@purephysicstu
@purephysicstu 2 жыл бұрын
Thanks sir
@jamalbarakat7614
@jamalbarakat7614 2 жыл бұрын
When i run pdos.dat for different orbital after change the "m.orbital_chouser.f90" the output is: STOP data array full How solve this Problem?! Please help
@lsagarsingha532
@lsagarsingha532 Жыл бұрын
Hello sir. Is machine learning helpful in computational physics research ?
@siestaindiahandsontutorial5627
@siestaindiahandsontutorial5627 Жыл бұрын
Yes why not
@amalyassin6900
@amalyassin6900 2 жыл бұрын
i schift EF in DOS to Zero, but in pdos it's not schiffted So How Schiffted EF in pdos to Zero?
@siestaindiahandsontutorial5627
@siestaindiahandsontutorial5627 2 жыл бұрын
Use transformation tool of xmgrace to shift mannualy
@mawaisrehman9219
@mawaisrehman9219 3 жыл бұрын
How to explain and discuss the graph of PDOS? anyone can help me?
@siestaindiahandsontutorial5627
@siestaindiahandsontutorial5627 3 жыл бұрын
You have to see the contribution of various orbitals in valence and conduction band.
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