Hello
I am Rana from nanotechnology Research Lab. Bangladesh University of Engineering Technology. We are very to find such time consuming software !
We are asking some information about the software........
How can I use all of my cores for calculation?
Can I reduce calculation time by adding more core and RAM?
How can I do TD DFT calculations?
How can I do non collinear magnetic calculations?
Waiting for your kind reply.
I'd say that if you're willing to reduce time you spend on dealing with documentation, it would be a good idea for you to check out various software and consider working with something like https://www.pandadoc.com/waiver-software/ to make sure that you do everything to optimize workflow and take your business to a new level.
>How can I use all of my cores for calculation?
>Can I reduce calculation time by adding more core and RAM?
DFT's calculation requires much time, which is proportional to cubic #atoms.
Maybe, you have too much atoms.
You can use parallel calculation with MPI and/or OpenMP,
please see the web page of QE<http://www.quantum-espresso.org> for the details.
>How can I do TD DFT calculations?
The current version of BURAI does not support TD-DFT.
You have to execute TD-DFT by command-line.
>How can I do non collinear magnetic calculations?
In project tab, SCF > Magnetization > Spin > Polarization > Non-collinear