Hello Sir, 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 directory.
[netlab4@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 <---> Header/K-points/Energies...done <---> Cell data...done <---> Atomic data...done <---> Symmetries...[SI no]...[I yes]...[-I no]...[TR yes] <---> XC functional...Perdew, Burke & Ernzerhof(X)+Perdew, Burke & Ernzerhof(C) <---> K-points mesh...done <---> RL vectors... [ERROR] STOP signal received while in : [ERROR]Error in qexml_read_planewaves IOTK error ierr: 1 [netlab4@localhost calc.save]$ Kindly help me with this. Regards, Himani Mishra Research Scholar IIIT Allahabad On Mon, Jul 18, 2016 at 12:07 PM, Daniele Varsano <daniele.vars...@gmail.com > wrote: > 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. > Best, > > Daniele > > Daniele Varsano > Cnr istituite of Nanoscience > Modena, Italy > > Il 18/lug/2016 08:28, "Himani Mishra" <him...@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@pwscf.org >> http://pwscf.org/mailman/listinfo/pw_forum >> > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum >
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