As the error message tells you, it cannot find the dstart executable
file. Either you need to compile to create the file with siteconfig,
fix the WIENROOT (and/or PATH) variables in your .bashrc, or try the
pre-compiled executables (WIEN2k_17.1_executables.tar.gz).
---
Hi all, I am a new Wien2k user.
I got this error by initialize calc.
"/home/maslan/WIENROOT/dstart : Command not found"
how can I solve this problem.
Thanks.
Metin Aslan
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Does anyone have any wisdom on how to handle for thermodynamics different
chromium oxides (with dopants)? At the LDA+U level it is a mess as the U
for Cr2O3 is large but that for CrO2 is small according to the literature,
about a factor of 10 difference. I am not sure that any hybrid can handle
thi
Thank you pieper for your answer
I am studying the magnetic order of type III with Ni1,Ni2 up and Ni3, Ni4
down according the figure included.
This is the procedure that I adopted:
-supercell 1x1x1 P to make the 4 atoms Ni indepedent a
- I make the Ni1 and Ni2 to be the atom Ni1 and the atoms
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