Dear all pwscf user, I am trying to do some calculations of interfaces between metals and insulators. I am not so familiar with PWSCF, so would you please help me with questions below?
1) How to define whether a system is (or expected to be) insulating or conducting by parameters of PWSCF? (I guess we use "smearing" to do this, but not sure.) 2) for metal/insulator supercell, how to set the related parameters? If it's smearing, should I use a as small as possible smearing? Thank you in advance for any suggestions or comments. Best wishes, Hongbin
