a2y conversion

Forum for discussing issues arising with interfacing the Abinit code (KSS) file with Yambo.

Moderator: Conor Hogan

a2y conversion

Postby giacsport » Tue Oct 13, 2009 9:36 am

Dear Moderator.
I am completely new with YAMBO so please excuse me ignorance in advance...

I am trying to use the a2y in order to transform the abinit format in yambo format in the 3D_LiF/Abinit directory, but once I execute the command

localhost:Abinit>a2y -F LiF_out_DS2_KSS

I get


____ ____ ___ .___ ___. .______ ______
\ \ / / / \ | \/ | | _ \ / __ \
\ \/ / / ^ \ | \ / | | |_) | | | | |
\_ _/ / /_\ \ | |\/| | | _ < | | | |
| | / _____ \ | | | | | |_) | | `--" |
|__| /__/ \__\ |__| |__| |______/ \______/

<---> [01] A(binit) 2 Y(ambo)
<---> Checking input file ...failed

... my question is: must Also Abinit be installed with YAMBO?

(Compilation of Yambo with NETCDF seems to be OK)


Thanks in advance,
G
giacsport
 
Posts: 14
Joined: Tue Oct 06, 2009 9:36 am

Re: a2y conversion

Postby andrea marini » Tue Oct 13, 2009 10:07 am

giacsport wrote:
I am trying to use the a2y in order to transform the abinit format in yambo format in the 3D_LiF/Abinit directory, but once I execute the command

localhost:Abinit>a2y -F LiF_out_DS2_KSS

I get


____ ____ ___ .___ ___. .______ ______
\ \ / / / \ | \/ | | _ \ / __ \
\ \/ / / ^ \ | \ / | | |_) | | | | |
\_ _/ / /_\ \ | |\/| | | _ < | | | |
| | / _____ \ | | | | | |_) | | `--" |
|__| /__/ \__\ |__| |__| |______/ \______/

<---> [01] A(binit) 2 Y(ambo)
<---> Checking input file ...failed

... my question is: must Also Abinit be installed with YAMBO?

(Compilation of Yambo with NETCDF seems to be OK)


Dear Giacsport,

Did you run Abinit in order to generate the KSS file before running a2y ? If you need more informations about how to generate the KSS file please read here.

P.S.: Please include your full name and affiliation in your signature. THANKS !
Andrea MARINI
Istituto di Struttura della Materia, CNR, (Italy)
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andrea marini
 
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Re: a2y conversion

Postby giacsport » Tue Oct 13, 2009 10:20 am

Excuse me. You are completely right!

Giacomo Giorgi
Department of Chemical System Engineering,
School of Engineering, The University of Tokyo,
7-3-1, Hongo, Bunkyo-ku, Tokyo 113-8656
giacsport
 
Posts: 14
Joined: Tue Oct 06, 2009 9:36 am

Re: a2y conversion

Postby andrea marini » Tue Oct 13, 2009 10:27 am

giacsport wrote:Excuse me. You are completely right!


No problem :D have fun with Yambo.
Andrea MARINI
Istituto di Struttura della Materia, CNR, (Italy)
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Re: a2y conversion

Postby Daniele Varsano » Tue Oct 13, 2009 12:22 pm

Dear Giacomo,
I'm going to move your topic in the section dedicated to "Importing core database".

Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
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