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a2y conversion

PostPosted: Tue Oct 13, 2009 9:36 am
by giacsport
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

Re: a2y conversion

PostPosted: Tue Oct 13, 2009 10:07 am
by andrea marini
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 !

Re: a2y conversion

PostPosted: Tue Oct 13, 2009 10:20 am
by giacsport
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

Re: a2y conversion

PostPosted: Tue Oct 13, 2009 10:27 am
by andrea marini
giacsport wrote:Excuse me. You are completely right!


No problem :D have fun with Yambo.

Re: a2y conversion

PostPosted: Tue Oct 13, 2009 12:22 pm
by Daniele Varsano
Dear Giacomo,
I'm going to move your topic in the section dedicated to "Importing core database".

Daniele