[QE-users] reading output generated from Band.x

2022-10-29 Thread KRISHNENDU MUKHERJEE
Dear MD NILOY KHAN, Thank you for your question about the topic. Sorry, that I do not have answer to your question but have some questions. I work with FCC metals. I also see in the output: point group O_h (m-3m) there are 10 classes the character table: E 8C3 3C2 6C4 6C2' i 8S6 3s_h 6S4

[QE-users] reading output generated from Band.x

2022-10-26 Thread MD NILOY KHAN
what does number beside 2C6 or 2C3, C2 represent?? and in band symmetry information( Band symmetry, D_6h(6/mmm) point group: e( 1 - 1) =-47.33409 eV *1* --> ?) what does *1* & *2 * represent?? %%part of output file. the symmetry operations in each class and the name of the