On 20/11/2022 19:50, Impact Group via users wrote
:
I'm working on WO3 and experimentally the material has been found in a
mixed state of different space groups. My question is that
1. Can such multi-structural calculation be done in quantum espresso ?
you can do calculations with any structur
Dear all,
I'm working on WO3 and experimentally the material has been found in a mixed
state of different space groups. My question is that
1. Can such multi-structural calculation be done in quantum espresso ?
2. If yes, how to include all these structures in one input ?
Regards,
Greeshma R
Sent
I'm working on WO3 and experimentally the material has been found in a mixed
state of different space groups. My question is that
1. Can such multi-structural calculation be done in quantum espresso ?
2. If yes, how to include all these structures in one input ?
