Yambo Community Forum

Posted: **Wed Jan 22, 2014 3:40 pm**

Dear All

what is the last version of Abinit supported by Yambo

I am trying to do GW calculation with Yambo after a DFT calculation with Abinit-7.6.1

but it seems that it is not cpmatible with this version. the output of a2y:

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 __   __  _______  __   __  _______  _______
|  | |  ||   _   ||  |_|  ||  _    ||       |
|  |_|  ||  |_|  ||       || |_|   ||   _   |
|       ||       ||       ||       ||  | |  |
|_     _||       ||       ||  _   | |  |_|  |
  |   |  |   _   || ||_|| || |_|   ||       |
  |___|  |__| |__||_|   |_||_______||_______|

 <---> A(binit) 2 Y(ambo)
 <---> Checking input file ...ino_DS2_KSS
 <---> DBs path set to :.
 <---> KSS Header...abinit version 7.6.1
 <---> Pseudo Potential KB form factors...yes
 <---> Atom's informations...done
 <---> Symmetries...[SI no]...[I yes]...[-I no]...[TR yes]
 <---> RL vectors...done
 <---> Closing shells against inversion...done
 <---> Energies...done
 <---> Report:
 <--->  :: Electrons             : 8.000000
 <--->  :: Temperature       [ev]: 0.000000
 <--->  :: Lattice factors [a.u.]: 5.340000  5.340000  5.340000
 <--->  :: K-points              : 29
 <--->  :: Bands                 : 15
 <--->  :: Spinor components     : 1
 <--->  :: Spin polarizations    : 1
 <--->  :: Spin orbit coupling   : no
 <--->  :: Symmetries   [spatial]: 24
 <--->  ::                [T-rev]: yes
 <--->  :: Max WF components     :  778
 <--->  :: RL vectors        (WF): 1086
 <--->  :: RL vectors    (CHARGE): 1109
 <--->  :: XC potential          : Teter 93(XC)
 <--->  :: Atomic species        : 2
 <--->  :: Max atoms/species     : 1
 <---> == DB1 ...done ==
 <---> == WFs + nlPP ...done ==

but when preparing input file for gw step with yambo -g n -p p or yambo -o c .. I have:

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#
#  /$$     /$$ /$$$$$$  /$$      /$$ /$$$$$$$   /$$$$$$
# |  $$   /$$//$$__  $$| $$$    /$$$| $$__  $$ /$$__  $$
#  \  $$ /$$/| $$  \ $$| $$$$  /$$$$| $$  \ $$| $$  \ $$
#   \  $$$$/ | $$$$$$$$| $$ $$/$$ $$| $$$$$$$ | $$  | $$
#    \  $$/  | $$__  $$| $$  $$$| $$| $$__  $$| $$  | $$
#     | $$   | $$  | $$| $$\  $ | $$| $$  \ $$| $$  | $$
#     | $$   | $$  | $$| $$ \/  | $$| $$$$$$$/|  $$$$$$/
#     |__/   |__/  |__/|__/     |__/|_______/  \______/
#
#            GPL Version 3.4.0 Revision 2132
#               http://www.yambo-code.org
#
setup                        # [R INI] Initializatio

Thanks in advance.

Posted: **Wed Jan 22, 2014 3:54 pm**

Dear Chen,
I do not know if some incompatibility raised with the latest version of abinit, should be not,
can you please post the r_setup file and the outcome of:

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> ls ./SAVE

Best,
Daniele

Posted: **Wed Jan 22, 2014 4:06 pm**

Dear Daniele

Thank you for the reply
I attached my r-setup file and the SAVE directory contains :

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ndb.gops  ndb.kindx  ns.db1  ns.kb_pp  ns.wf

Hichem Ben Hamed
Faculty of Sciences of Tunis

Posted: **Wed Jan 22, 2014 6:00 pm**

Dear Chem,
I can't see anything strange with your run, I presume you typed the yambo -c after having run the setup.
May be someone else can help you soon.
Best,
Daniele

Posted: **Wed Jan 22, 2014 10:10 pm**

Dear Chem,
I used up to abinit 7.4.1 and yambo was working fine.
Abinit 7.6.1 was released just 8 days ago, we will check it in the next days and eventually upgrade the interface with the future yambo releases..

In the meanwhile please try to use abinit 7.4.1 (or previous) and let us know if you still have problems.

Best regards,
Davide

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