[Wien] question about applying electric field in wien2k

[Zohreh Alsadat Nourbakhsh]

Dear Wien2k admins and users

I am using WIEN2k_21.1 on linux mint 21 (MATE 64-bit) mint code for 
apply external electric field to a two dimensional semimetal system. 
Unfortunatly, after following the userguide instructions, it seems that 
external electric has almost no effect on my electronic band structure.

I have tried various values of IFIELD paramater (30, 8000, 10000, 11000, 
12000), but the expected splitting in the band crossing did not happen. 
I also tried a lot to reproduce the calculations in the results of the 
article (https://doi.org/10.1016/j.physe.2012.04.017) on bilayer 
graphene, but I failed to observe the reported spliiting after applying 
electric field.

my case.in0 input file for electric filed application:

TOT  XC_PBE     (XC_LDA,XC_PBESOL,XC_WC,XC_MBJ,XC_SCAN)
NR2V      IFFT      (R2V)
    18   18  216    2.00  1 NCON 9  # min IFFT-parameters, enhancement 
factor, iprint, NCON n
8000 0.3
8000 0.3

Your kind help is highly appreciarted.

           Best Regards

           Z.Nourbakhsh
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20230104/82022e13/attachment.htm>