How to "epsilon_diag_mic" part in vasprun.xml
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How to "epsilon_diag_mic" part in vasprun.xml
I got epsilon_diag_mic in vasprun.xml after ACFDT-RPA total energy calculations.
Is there any way to get those informations with only local functionals (GGA or LDA)?
or with hybrid calculations?
In addition, it seems that the number of planewaves are different for the static calculations and for the responsefunctions.
Can I change the number of G vectors (IXMAX and IXMIN I guess) manually?
Is there any way to get those informations with only local functionals (GGA or LDA)?
or with hybrid calculations?
In addition, it seems that the number of planewaves are different for the static calculations and for the responsefunctions.
Can I change the number of G vectors (IXMAX and IXMIN I guess) manually?
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- Global Moderator
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- Joined: Mon Nov 18, 2019 11:00 am
Re: How to "epsilon_diag_mic" part in vasprun.xml
Hi,
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