[Wien] Enquiry: Unit of momentum values in case.mommat2 file.
VIVEK PANDEY
vivek6422763 at gmail.com
Fri Jun 21 16:18:36 CEST 2024
Dear Wien2K community,
I am currently using the latest version of the WIEN2k
package (*Version:
WIEN2k_23.2*). With this, I am calculating the *momentum matrix elements*
using the *optic* module.
After using the command: *x optic*, a file named *case.mommat2* is
generated which contains the *momentum matrix elements.* It looks like:
*Complex momentum matrix elements: (Re_x,Im_x),(Re_y,Im_y),(Re_z,Im_z)
KP: 1 NEMIN NEMAX : 81 98 dE: 0.6 1.1 K: 1 81 81
5.888020E-02 3.257831E-06 6.557814E-02 1.294886E-06 1.116245E-02
1.399069E-06 0.00000000 81 82 -4.353332E-03 -6.434139E-04
2.001186E-02 -1.244405E-02 -3.223027E-03 2.881560E-03 0.00543068 81
83 -6.522600E-03 -4.012208E-02 -2.258051E-03 -1.619203E-02 6.472639E-03
3.838776E-02 0.11073048 81 84 -2.228168E-02 -1.738051E-02
6.632444E-03 1.158258E-03 2.376027E-02 7.684594E-03 0.13102318 81
85 -3.592580E-02 -5.574593E-03 1.311351E-02 -1.274202E-02 1.735007E-02
-5.684256E-03 0.13226487 81 86 -2.230955E-02 2.596466E-02
9.601623E-03 2.874215E-02 -2.548948E-03 -1.968977E-02 0.14907996*
I want to enquire about the *unit* in which the momentum values are
expressed in this file. Also, kindly highlight if the value of *hcut *is
taken as 1 or not in calculating these momentum values.
Kindly help me with this.
*Thanks and Regards*
*Yours Sincerely*
Vivek Pandey
Research Scholar
Indian Institute of Technology, Mandi
Himachal Pradesh, India
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