Siddharth Dhanna

6 Questions 2 Answers 0 Followers

Questions related from Siddharth Dhanna

How to set energy range from -10 to 10 ev in EXCITING code?

Which attribute in the EXCITING code allows us to set the energy range?

24 January 2025 2,871 0 View

Convergence in EXCITING code?

How much time does Exciting code take to converge for 10 atoms per unit cell?

16 January 2025 8,506 0 View

How can I see which equation is implemented in WIEN2K when it is calculating imaginary part of epsilon?

In the OPTIC module of WIEN2K (user guide), they have cited a paper. How can I see whether the given equation is implemented in code?

06 January 2025 5,709 1 View

Number of electrons in my previous calculations was 86 in scf file as well as in .in2 file. But now the number of electrons have been increased to 98?

Will this affect properties such as band and DOS? If yes, then how can I fix this? This calculation has been done in WIEN2K.

01 July 2024 1,651 1 View

How can I plot DOS till 20 eV please tell me?

I have made changes in .in1 as well as in .int files but unable to get dos till 20 eV

14 June 2024 9,114 1 View

Why we have two differnt formulas for the calculation of seebeck coefficient in theoretical and experimental methods?

For the boltaztrap we used the formula for calculating the Seebeck coefficient using a different formula mentioned in doi:10.1016/j.cpc.2006.03.007 and the formula we are using in the experiment...

18 March 2024 2,144 3 View