Installing Qbics
Qbics is actaully NOT needed to be installed. We have provided compiled executables so no compilation is needed. Just download it from the bottom of the website:
The Windows and Linux version is a .zip and .tar.gz compressed package, respectively. Just decompress them, and Qbics is ready for use!
After decompression, you may get the following files:
qbics
|------ basis
|------ pseudopotential
|------ tools
|------ qbics-win/linux-cpu
qbics-win/linux-cpu
is the qbics executable ready for use.
You can run qbics by using absolute path. On Windows:
$ D:\software\qbics\qbics-win-cpu water.inp > water.out
or on Linux:
$ /opt/qbics/qbics-linux-cpu water.inp > water.out
Of course, you can also put D:\software\qbics
or /opt/qbics
to PATH
variable so you need not to type absolute path, but this is not mandated.