[Wien] Optics/x joint working only with prec 1 and NOT with prec 2.

[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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