How to restart DOS calculations with MBJ+SOC

Queries about input and output files, running specific calculations, etc.


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rishikanta_m
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Re: How to restart DOS calculations with MBJ+SOC

#16 Post by rishikanta_m » Tue Oct 11, 2022 4:22 am

Yes, I ran the calculations with lower k-points, and it is running fine.

I closely observed and found that ALGO=Normal, in the end, while generating the dielectric function requires double the RAM memory it was using in SCF.

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