[Pw_forum] Conversion of output from pwscf into input for yambo.
himani at iiita.ac.in
Tue Jul 19 09:03:26 CEST 2016
I have followed the step by step guide of how to convert pwscf into yambo.
But getting this error while running the p2y command in the filename.save
[netlab4 at localhost calc.save]$ ./p2y -S -N
____ ____ ___ .___ ___. .______ ______
\ \ / / / \ | \/ | | _ \ / __ \
\ \/ / / ^ \ | \ / | | |_) | | | | |
\_ _/ / /_\ \ | |\/| | | _ < | | | |
| | / _____ \ | | | | | |_) | | `--" |
|__| /__/ \__\ |__| |__| |______/ \______/
<---> P(W) 2 Y(ambo) Ver. 5.0
<---> DBs path set to .
<---> Index file set to data-file.xml
<---> Cell data...done
<---> Atomic data...done
<---> Symmetries...[SI no]...[I yes]...[-I no]...[TR yes]
<---> XC functional...Perdew, Burke & Ernzerhof(X)+Perdew, Burke &
<---> K-points mesh...done
<---> RL vectors...
[ERROR] STOP signal received while in :
[ERROR]Error in qexml_read_planewaves IOTK error ierr: 1
[netlab4 at localhost calc.save]$
Kindly help me with this.
On Mon, Jul 18, 2016 at 12:07 PM, Daniele Varsano <daniele.varsano at gmail.com
> Dear Himani
> Please have a look to the yambo documentation: www.yambo-code.org there
> you can find all the information to set up a calculation with yambo. You
> can also subscribe to the dedicated yambo forum which is the appropriate
> place for this kind of questions.
> Daniele Varsano
> Cnr istituite of Nanoscience
> Modena, Italy
> Il 18/lug/2016 08:28, "Himani Mishra" <himani at iiita.ac.in> ha scritto:
>> Dear sir,
>> I have simulated a job in PWscf and want to apply QP corrections on it.
>> For this I need to run it in yambo but I am not able to convert the pwscf
>> output into a suitable input for yambo. Can you please tell me how to do it
>> or provide a link which can be guide me?
>> Thanks in advance.
>> Himani Mishra
>> Research Scholar
>> IIIT Allhabad
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
> Pw_forum mailing list
> Pw_forum at pwscf.org
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