Hello, So it is not yet possible to apply a pressure in the lattice or impose a stress tensor during calculation ! !
Helo dear all I will like to know regarding your experiences what is the best mixing type of potential that can be use during calculation. Elk propose 3 type that are - Linear mixing - Adaptative Linear mixing - Broyden Mixing Thanks
Hello I have a question about the minimization of the time calculations during a geometry optimisation calculation I will like to know what are the differents parameters that have to be check during such a calculation and what are the tipicals values they can have Thanks
Hello dear all. I just discover the existence of EFIELDC tag but there is no way to know the unit of the corresponding field. I will like to known how much 1 EFIELDC is in V/m Thank
Hello I have a question about W90 i have heard about many days ago. I will like to use it and got the Wannier center. May somebody can give me a brief introduction on what it is or just send me a pdf i can read to know more about and use it as well as possible. I fact i will like to use it but still now i make some research on google and don't fine a way to start to learn it. I need help Thanks
I fact i will like to use it but still now i make some research on google and don't fine a way to start to learn it. I need help
Hello I have a question about W90 i have heard about many days ago. I will like to use it and got the Wannier center. May somebody can give me a brief introduction on what it is or just send me a pdf i can read to know more about and use it as well as possible. Thanks