Hi,
I am trying to replicate the results of the tutorial on the RPA/ACFDT. The RPA energies have a difference of 0.4-0.6 eV as compared to the results in the tutorial.
Is the energy difference acceptable ? I am using the same input available on the wiki. I am using VASP 5.4.4 version.
https://www.vasp.at/wiki/index.php/Equi ... in_the_RPA
ACFDT/RPA calculations with vasp 5.4.4
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madhavan_nampoothiri
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svijay
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Re: ACFDT/RPA calculations with vasp 5.4.4
Dear madhavan_nampoothiri,
I just ran the example with `doall.sh` script using both VASP 5.4.4 and VASP 6.4.2 and I get the same equation of state curves as on the webpage for both DFT and RPA calculations, i.e. I am not able to reproduce your error. Could you please provide more details on which energies do not match the tutorial? All the output file generated by the script would be useful as well.
Sudarshan
I just ran the example with `doall.sh` script using both VASP 5.4.4 and VASP 6.4.2 and I get the same equation of state curves as on the webpage for both DFT and RPA calculations, i.e. I am not able to reproduce your error. Could you please provide more details on which energies do not match the tutorial? All the output file generated by the script would be useful as well.
Sudarshan