[Wien] Nw SCF cycle require for Thermoelectric property using BoltzTrap

AJAY SINGH VERMA ajay_phy at hotmail.com
Sat Jan 5 15:24:48 CET 2019


Dear sir,

If i want to calculate thermoelectric property using boltzTrap then large K mesh is required(as per the user guide of BoltzTrap). Sir i want to ask is it necessary to redo the complete SCF cycle again with large k mesh?
If no , then what procedure i have to follow for this calculations.

Thanks
Ajay Singh Verma
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