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When I changed to new laptop with win10 for some reason GBC stops at downloading SENSEX data and quits downloading.
What could be the reason?
It downloads perfectly in old laptop with win7.
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Bse run (same inputs) with ```BSEprop= "photolum"``` crashed with array mismatch between ```BS_T_grp(i_T_g)%dipoles_opt(:,i_T,1)``` and ```PL_weights(:)``` in file https://github.com/yambo-code/yambo/…
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Hi,
I would like to ask whether sumo is about to plot the absorption spectra resulting from BSE, as BSE usually does not apply LOPTICS=.TRUE.. I can plot the spectrum at DFT and RPA level (both usi…
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This issue is meant to be a thread for discussion about the calculation of the Coulomb potential within the analytical model approach.
This problem concerns also the class `TB_dipoles`.
@stevenbos12…
rreho updated
2 months ago
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Trying to run a fluorine-containing molecule (HF) with wB97X-3c in Psi4 1.9.1 results in the following error:
```sh
psi4.driver.qcdb.exceptions.BasisSetNotFound: BasisSet::construct: Unable to fin…
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Currently, `BasisSet`s are represented and stored by `aiida-basis` as `SingleFileData`s in AiiDA.
This implementation makes sense for numerical orbitals like OpenMX's PAOs because
0. The basis is …
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I would like to request column for displaying the BSE & NSE codes as a column option.
BTW the website is a great help for investors.
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The io_BS_header is done by all files, while this is not needed.
This is due to two factors:
a) in file `PARALLEL_global_Response_T_transitions` there is the line
```
! …
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I'm trying to do something that I haven't seen documented, but, should(?) work. It almost works, at any rate.
Example project here: [box-shadow-example](https://github.com/michaelurban/box-shadow-e…
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We need more accurate sensors that also work with Dynamics' mounting plan so this is to see what kind of sensors are on the market to replace the old ones.