Dear Wien2k developers and users,Hi!I want to do hybrid functional calculations
but I couldn't make it. I have searched in the mailing list for a procedure to
follow it as the mBJ procedure and I didn't succeeded yet. I would be thankful
for any kind of help in showing me how to run the hybrid
Dear Wien2k users and developers,Hi!I am interested in calculating the
effective mass of Silicon(Si) in perpendicular direction(perpendicular to
gamma-X high symmetry lines)(light transverse effective mass). My question is
how to generate the klist for calculating the band structure between two
I would like to inquire about the BoltzTraP code implementedin the WIEN2k
package. I am uncertain whether it neglects lattice thermalconductivity, as
there are conflicting claims suggesting that BoltzTrap mayonly focus on
electronic thermal conductivity. Your feedback on this matterwould be
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