ABINIT Discussion Forums

Dear all,
I'm trying to calculate the NLO response using the WC functional (ixc=23) but I get the following errors:

chkinp: Checking input parameters for consistency, jdtset= 4.
chkint_prt: ERROR -
Context : the value of the variable ixc is 23.
The value of the input variable prepanl is 1, while it must be
different from one of the following: 1
Action : you should change the input variables prepanl or ixc.

chkinp: Checking input parameters for consistency, jdtset= 5.

chkint_prt: ERROR -
Context : the value of the variable ixc is 23.
The value of the input variable optdriver is 5, while it must be
different from one of the following: 5
Action : you should change the input variables optdriver or ixc.

Do you know why ixc=23 is not compatible with those prepanl and optdriver options?
I already did the same calculation with ixc=5 and it ended normally. The abinit version I use is 7.2.1.

Thanks a lot in advance for your help

Best

Antonio

Dear Antonio,

it seems that it's written nowhere, but I think that non-linear response is still available only for ixc = 1,3,11. Maybe someone of the "elders" could confirm that.

Best regards,

Igor

How can I get more information on it?

Have you tried searching the forum for the related topics?

Best,

Igor

Yes, before writing this post, but with no success.