/CB_miniapp

miniapp for computing band structures usin Cohen-Bergestress pseudopotentials and Quantum ESPRESSO libraries

Primary LanguageC

#How to run this:

#first configure. 
./configure

#then make dependencies
cd install; ./makedeps.sh; cd ../

#then actually make the CB toy dft code
make cb

#testing the workings of the code is currently via examples,
#not tests
cd CB_toy_code/examples
#this script tests by default tests six executables that should now be in ../../bin
#cb_cg cb_cg_gamma cb_davidson cb_davidson_gamma cb_ppcg cb_ppcg_gamma
#with serial configuration, using all the inputs in the examples directory
./run_all_examples