Dear experts and users,
I am running a DOS calculation after SCF using 4 x 8 (= 32 processors)
in my HPC. While running the job with same 4 x 8 = 32 processors with a
command x lapw2 -qtl -p in the script file. It ends with an error in Lapw2.
The error is the following
Error in LAPW2
Dear all,
I try to decompose the magnetic shielding contributions into different energy
windows, here I have two questions in running x_nmr_lapw:
Question 1 is about the additivity of the NMR shielding contributions from
different energy windows: I assume the summation for the shielding
Dear wien2k users,
I am using wien2k version WIEN2k_12.1 to do XMCD and XAS calculation. I
have found several ppts describing theoretical aspects connecting wien2k
but I could not find technical details steps to do XAS and XMCD calculation
in wien2k.
Could anyone suggest me how can I learn XMCD
I am using wien2k version WIEN2k_12.1 to do XMCD and XAS
calculation. I have found several ppts describing theoretical aspects
connecting wien2k but I could not find technical details steps to do
XAS and XMCD calculation in wien2k.
Could anyone suggest me how can I learn XMCD calculation in
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