The optics package does not work with HDLOs. You must use:
init -prec 2 -nohdlo
Am 03.05.2024 um 14:15 schrieb Pranjal Nandi:
Dear Community,
Hello.
W2K version 23.2. Runing in parallel mode with 10 locahosts.
When I run the optics (and x joint) after running the scf with prec 1,
everything works fine and I get a proper eloss file.
When I do the same thing with prec 2, in the eloss file everything is
zero. The attachment bato.eloss contains the data with prec 2.
I have tried to increase the following in the prec 2 to see if it
gives any proper output (after I got no results with the default
parameters). But nothing happens.
.in1c - K-VECTORS FROM UNIT:4 -9.0 20 85 emin / de (emax=Ef+de)
/ nband
.inop - -5.0 20.0 9999 Emin, Emax for matrix elements, NBvalMAX
.injoint - 0.0000 0.0225 20.0000 : EMIN DE EMAX FOR ENERGYGRID IN ryd
It would be helpful if you could please suggest how can I obtain eloss
data with the prec 2 (3, haven’t tried yet).
Regards,
Pranjal
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