[Wien] Dense mesh calculation
Lukasz Plucinski
pluto at physics.ucdavis.edu
Fri Jun 1 13:13:51 CEST 2018
Dear Prof. Blaha, dear All,
Thank you for your answer.
It seems that case.energy files (energyup/dn, energysoup) are not
printed when using SUPWF option. Is that correct? Do I need to read
eigenvalues from case.output files?
I have another question:
Can I limit the energy range when calculating bands for dense k-point
mesh (e.g. only get eigenvalues near the Fermi level)? Will it increase
the speed per k-point?
Regards,
Lukasz
On 5/15/2018 10:55 AM, Peter Blaha wrote:
> You can avoid the vector file by an option in case.in1. See UG
>
> On 05/15/2018 09:58 AM, Lukasz Plucinski wrote:
>> Dear All,
>>
>> Could you let me know how to avoid saving huge vector files during
>> dense mesh calculations? I am trying to do this for
>> spin-polarized+SOC calculations. Perhaps someone could share a script
>> that would only save eigenvalues?
>>
>> Best,
>> Lukasz
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