Dear all,
I am trying to install TBtrans with NETCDF dependencies using the
latest version 4.1-b3.
The libraries i am using are intelmpi/2017.3.196/64 and
mkl/lp64/11.2.4.223.
Any installation (Siesta, transiesta) with these libraries work just
fine without netcdf.
It is only when I add
Dear Koussai,
We have one tested at:
http://www.sciencedirect.com/science/article/pii/S0927025614007940#
A zip file with a few pseudos can be downloaded free of charge at:
http://www.sciencedirect.com/science/article/pii/S2352340914000353
Look for "supplementary files" on that second
Hi,
On 14 Dec 2017 10:04 p.m., "Patrick Avery" wrote:
Hi there,
I'm relatively new to SIESTA, and I'm trying to use it to relax some
randomly generated molecular crystals. I'm using the z-matrix specification
to fix distances, angles, and dihedrals within a molecule.
The