[gpaw-users] fd mode for unitcell optimization

[Ask Hjorth Larsen]

Hi,

El dom., 14 jul. 2019 12:31, Punit Kumar via gpaw-users <
gpaw-users at listserv.fysik.dtu.dk> escribió:

> Hello GPAW users
> I have two questions regarding the use of 'fd' mode of gpaw.
>
> Q1. Is using 'fd' mode for unitcell optimization is feasible like 'PW'
> mode?
>

Only PW mode has the stress tensor.


> Q2. Is there any example which shows conversion for gridspacing2cutoff? I
> have found example for cutoff2gridspacing but not for gridspacing2cutoff.
>

(Don't know about that)


Best regards
Ask



> Thanks
> Punit, PhD
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