[Wien] effective masse

Dear all, Can some one help me how I can calculate the effective masse of hole and electron , from the structure bands ?? Thanks in advance Best Regards Imen ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at

[Wien] Small bug with hybrid functionals

Dear WIEN2k users, There is a bug in the file calc_cnk.F in $WIENROOT/SRC_hf/ To fix the bug you need to remove the sign - as follows: tauinv(1:3,(nsym+1):nsyminv) = -tau(1:3,1:nsym) has to be replaced by tauinv(1:3,(nsym+1):nsyminv) = tau(1:3,1:nsym) This bug concerns only systems with very

[Wien] Fwd:

Dear Wien2k designers and users, I want to get the wave function in detail,i.e coeffeients like Alm Blm,including radical wave function.However,I do not understand the radwf file.The file looks like: 1 781 0.05 0.0168235428 2.50 0 0.4516540749E-03

Re: [Wien] effective masse

I haven't calculated the effective mass with WIEN2k, but my current understanding is as follows. One method used to calculate the effective mass is the parabolic approximation method. You can probably find this method described in semiconductor physics or solid state physics textbooks. I