[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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