Author Topic: K-point sampling : custom (fractional)  (Read 2436 times)

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Offline Dipankar Saha

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K-point sampling : custom (fractional)
« on: June 30, 2015, 17:06 »
1) While calculating the coupling b/w the charge carriers and lattice vibrations.... I find a K-grid (A, B, C), that needs to be customized.../ How far my results may vary...if I still set it to Monkhorst Pack k-grid??

2)
Besides, I just wanted to ask....that_
Whenever I have to fill.... the "e-bands" and, "Ph-modes" details.....,
I will get those from the prior dispersion calculations.....  Is this the way ?
« Last Edit: July 1, 2015, 20:33 by Dipankar Saha »