Dear VASP users and Admin,
For the HSE calculation, one should take all the kpoints explicitly. Increase in number of kpoints and Encut, both will calculation more costly. But to optimize the time and cost, what one can decrease ENCUT or No. of Kpoints. Especially for the Band-Structure calculation what is more important ENCUT or no. KPOINTS?
best regards,
PS
HSE calculation
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magnon963
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HSE calculation
Last edited by magnon963 on Sat Dec 31, 2011 5:55 am, edited 1 time in total.
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admin
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HSE calculation
A larger number of k-points makes lines in the band structure more smooth. The higher ENCUT leads to more precise position of the lines.
Last edited by admin on Wed Jan 04, 2012 3:46 pm, edited 1 time in total.
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magnon963
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HSE calculation
Thnax a lot Admin...
Last edited by magnon963 on Fri Jan 06, 2012 7:06 am, edited 1 time in total.