[Wien] Optical properties

[whoming at sohu.com]

Dear Okoye,
       please check that you are using the WIEN2k before the version 03.
I had the sampe problem in WIEN2k_01 and I didn't try 02.
Yours,
Whoming


----- Original Message -----

From: Chukwuemeka Okoye 
To: Wien at zeus.theochem.tuwien.ac.at 
Subject: [Wien] Optical properties
Sent: Mon May 24 16:56:36 CST 2004

Dear Wien users,

I am calculating optical properties including spin-orbit using about 12,000k-points in the IBZ.. I have followed the procedure in the UG. However, when I got to x opticc -so -up, it crashed with following error message:

Allocate error 491: Array is already allocated
In procedure: mom_mat
At line : 240
End of diagnostics.

Please , I am looking forward to your kind assistance

C M I Okoye





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