You probably compiled WIEN2k as a 32 bit application on a 64 bit
Ubuntu. So when it tries to load the 64 bit libfftw3.so.3, it gives
that error because it needs and cannot find the 32 bit libfftw3.so.3 [
http://askubuntu.com/questions/436802/why-do-i-get-error-while-loading-shared-libraries-lib
so much the better it is very cold here !!!
(correct me if I am wrong)
I cannot correct you since I do not know where you are!
relaxation of atomic positions is possible only for functionals for which the
forces are calculated correctly (GGA, GGA+U, onsite hybrids). This is not the
case wit
so much the better it is very cold here !!!
(correct me if I am wrong)
relaxation of atomic positions is possible only for functionals for which
the forces are calculated correctly (GGA, GGA+U, onsite hybrids). This is
not the case with spin-orbit coupling or the full hybrid functionals.
__
My impression is that for the forces the full hybrid functionals won't give you
better results, but your computer will get much hotter!!!
De: wien-boun...@zeus.theochem.tuwien.ac.at
en nombre de kadda AMARA
Enviado: jueves, 24 de diciembre de 2015 06:24 a. m.
dear tomas
the probleme is
error while loading shared libraries: libfftw3.so.3: wrong ELF class: ELFCLASS64
hup: Command not found.
please give men answer
2015-12-24 7:55 GMT+01:00 Gavin Abo :
> For Ubuntu, you can read the Ubuntu Documentation. For example, you can
> go to:
>
> https://hel
Hi,
Is it possible to perform relaxation of atomic positions (mini or MSR1a)
with the full hybrid functionals?
best regards
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