Re: [Pw_forum] Effective mass calculation- Reg.

I do not know… It is written:TODO: Quantum Espresso but perhaps it is done. Pascal Boulet — Professor in computational chemistry - DEPARTEMENT OF CHEMISTRY Aix-Marseille University - ST JEROME - Avenue Escadrille Normandie Niemen - F-13013 Marseille - FRANCE Tél: +33(0)4 13 55 18 10 - Fax :

Re: [Pw_forum] Effective mass calculation- Reg.

Dear Pascal, Is it suitable for Quantum Espresso?? With warm regards Sudha Priyanka G Assistant Professor, Lady Doak College, Madurai, Tamilnadu, India. On Thu, Dec 28, 2017 at 5:32 AM, pboulet wrote: > Hello, > > You may try the emc program and look at this

Re: [Pw_forum] Effective mass calculation- Reg.

Hello, You may try the emc program and look at this page: https://github.com/afonari/emc HTH Pascal > Le 28 déc. 2017 à 11:12, Sudha Priyanka a écrit : > > Dear QE Experts, > How to calculate effective mass of holes and

[Pw_forum] Effective mass calculation- Reg.

Dear QE Experts, How to calculate effective mass of holes and electrons from the band structure? Is there any software or tool to find out this parameter from the band structure? Please assists me step by step. With warm regards Sudha Priyanka G Assistant Professor, Lady Doak College,