Dear users: I’m creating paw pseudopotentials by ld1.x. But I’m confused about the input. With same configuration of electron of C atom, there is different output between with and without test option, I attached inputs with and without test option, and I found only 3s orbitals have different behavior (green line).
Which is the correct way, using or not using test option? Best Regards, Takahisa Ishiyama
w_test_option.in
Description: w_test_option.in
wo_test_option.in
Description: wo_test_option.in
_______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
