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Ypp for 5.2.0

Posted: Thu Oct 05, 2023 10:41 am
by sdwang
Dear developers,
To inperpolate the GW bands, I used ypp -y of v-5.2.0 first to remove the symmetry, but it stops with the error:

Code: Select all

[ERROR] STOP signal received while in[04] K-point grid
[ERROR] Error reading K-point grid, please run setup again!
However the v-5.1.1 is OK.
What it could be?

Best

Shudong

Re: Ypp for 5.2.0

Posted: Thu Oct 05, 2023 10:48 am
by Davide Sangalli
The error usually means that you first need to run the setup, e.g. yambo without any input file.
After that you should be able to run ypp.

Best,
D.

Re: Ypp for 5.2.0

Posted: Thu Oct 05, 2023 10:51 am
by Daniele Varsano
Dear Shudong,

this means that something happened when reading the ndb.kindx file. Is it present in your SAVE database?
Best,
Daniele

Re: Ypp for 5.2.0

Posted: Thu Oct 05, 2023 10:54 am
by sdwang
Dear Daniele,
Yes, the ndb.kindx file is in the SAVE dir.! When I move to v-5.1.1 in the same directory, it works but 5.2.0 does not!
Best
Shudong

Re: Ypp for 5.2.0

Posted: Thu Oct 05, 2023 11:06 am
by Davide Sangalli
If you have nbb.kindx generated with 5.1 it maybe not accepted by 5.2