Dear developers,
I am new to yambo and using it after performing abinit calculations.
I have abinit-9.2.2 and yambo-4.5.3 both compiled with netcdf+hdf.
But when I try to convert from abinit to yambo i get the following error.
Any help will be highly appreciated.
[nsingh3@int1 hBN]$ a2y -F hbn_out_DS2_WFK.nc
OMP: Info #274: omp_set_nested routine deprecated, please use omp_set_max_active_levels instead.
____ ____ ___ .___ ___. .______ ______
\ \ / / / \ | \/ | | _ \ / __ \
\ \/ / / ^ \ | \ / | | |_) | | | | |
\_ _/ / /_\ \ | |\/| | | _ < | | | |
| | / _____ \ | | | | | |_) | | `--" |
|__| /__/ \__\ |__| |__| |______/ \______/
<---> E(TSF) 2 Y(ambo)
<---> Checking input file ...
<---> ETSF file hbn_out_DS2_WFK.nc
<---> DBs path set to :.
<---> Header/K-points/Energies...done
<---> Cell data...[SI no]......[-I no]...[TR yes]...done
<---> Eigenvalues data...done
<---> K-points mesh...done
<---> Pseudopotential...
[ERROR] variable: lmnmax NetCDF: Invalid dimension ID or name
Best Regards,
Nisha Singh
Postdoctoral Researcher,
Chemical Engineering (OM Group),
Technical University Delft, Netherlands
[ERROR] variable: lmnmax NetCDF: Invalid dimension ID or name
Moderator: Conor Hogan
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- Davide Sangalli
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Re: [ERROR] variable: lmnmax NetCDF: Invalid dimension ID or name
Dear Nisha,
can you attach your abinit input files and pseudo-potentials.
Most likely the reason is that, when generating the WFK file, you did not add in input the abinit variable
Best,
D
can you attach your abinit input files and pseudo-potentials.
Most likely the reason is that, when generating the WFK file, you did not add in input the abinit variable
Code: Select all
prtkbff 1
D
Davide Sangalli, PhD
CNR-ISM, Division of Ultrafast Processes in Materials (FLASHit) and MaX Centre
https://sites.google.com/view/davidesangalli
http://www.max-centre.eu/
CNR-ISM, Division of Ultrafast Processes in Materials (FLASHit) and MaX Centre
https://sites.google.com/view/davidesangalli
http://www.max-centre.eu/
-
- Posts: 14
- Joined: Sun Jan 10, 2021 7:57 am
Re: [ERROR] variable: lmnmax NetCDF: Invalid dimension ID or name
Hello Davide,
Yes adding the prtkbff 1 in abinit input file solved my problem. Thanks.
Nisha Singh
Postdoctoral Researcher,
Chemical Engineering (OM Group),
Technical University Delft, Netherlands
Yes adding the prtkbff 1 in abinit input file solved my problem. Thanks.
Nisha Singh
Postdoctoral Researcher,
Chemical Engineering (OM Group),
Technical University Delft, Netherlands