Dear Eamon
Thanks sir for your reply.
Regards
Sikander
On Tue, May 24, 2016 at 2:17 AM, Eamon McDermott <
eamon.mcderm...@tuwien.ac.at> wrote:
> To increase the XSPEC energy window this far above E_F, you must first
> include additional conduction band states, first by increasing EMAX, and
> poss
To increase the XSPEC energy window this far above E_F, you must first
include additional conduction band states, first by increasing EMAX, and
possibly NBAND on the last line of case.in1, then re-run 'x lapw1' and 'x
lapw2 -qtl' to regenerating your QTL files. By default, EMAX should be 1.5
Ry (i.
Dear Petr Blaha/All
I am familiar with the XAS calculation and can plot only up to 20 eV. Now
please someone guide me that how to increase the energy window up to 50 eV.
Though I do the following changes in
case.inxs the energy up to 50 eV,
Broadening 0.5
Then
x initxspec
x tetra
x tspec
x lorentz
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