Procedure to calculate effective mass for spin-polarized case

[Leostorm10]

Dear Alexandr Fonari,

       I need to do effective mass calculation from spin-polarized band structure calculated by VASP. I downloaded program from your website. From README file I see there is example for non-spin polarized  system. I would like to ask the method for spin-polarized system.  Could you please tell me how to set band number in input.in file for spin-polarized system ?

I look forward to receive your reply.

Thanking you, Santu

[afonari]

Working on that, thanks for the patience

[abduljalils]

Dear Sir ..I have copied the file emc-1.50.tar.gz and after unzib the folder i got rmc.py I used chmod + ./emc.py .After this I used test folder of GaAs for calculations.After running of scf i make new director and copied KPOINTS file and incar file CHG,chgcar also.Now after this what will be the procedure for calculation of effective mass.

[abduljalils]

Please suggest solution [email protected]

[yangke19920506]

How do you distinguish between the up and down spin bands?

[afonari]

Can someone upload an example of spin polarized calculation with all the files present?

[kcbhamu]

I have Wien2k and Quantum Espresso files. I can share. Is there any plane to develop emc for QE in near future?