Requested g-index is above maximum g-vector

[joydev.asadtala]

Dear Developer,
I am getting an error message during the dielectric calculation.
All input files attached below.

Best,
Joydev De
PhD student, NISER, India

[Daniele Varsano]

Dear Joydev,
actually, it is not clear what's happening here.
Anyway, your input file does not make much sense.
If you want to do an IP calculation you should use:

Code: Select all

Chimod= "IP"

Otherwise, if you aim to a TDDFT-ALDA calculation, you should raise the value of FxcGRLc and NGsBlkXd.
I will look anyway, why you get this error.

Daniele

[Davide Sangalli]

Dear Joydev,
can you also attach the pseudo-potential ?
I'll try to reproduce the error.

Best,
D.

[joydev.asadtala]

Dear Davide Sangalli
I am attaching the Pseudo potential file.

Best,
Joydev De
PhD student, NISER, India