Hello, I created a new input file using VIM, and it works fine now! I think the input I was using before may have had issues with line endings.
And yes, I did need output_format. Thanks! Dan On Thu, Aug 30, 2018 at 1:53 PM Paolo Giannozzi <[email protected]> wrote: > Not sure what the standard says, but I have never had a problem with > commas in namelists (as long as they are "true" commas and not strange > characters as sometimes happens!) > > On Thu, Aug 30, 2018 at 7:38 PM, Stefano Baroni <[email protected]> wrote: > >> Besides, it seems to me that the trailing commas at the end of the >> namelist should not be there. Have you tried to remove them? It may well be >> that some compilers are tolerant with these details, but I think that >> namelists should not be terminated with a trailing comma … Just my >> worthless 5 cents … SB >> >> On 30 Aug 2018, at 19:17, Paolo Giannozzi <[email protected]> wrote: >> >> I think you have to specify "output_format" (but this is not the reason >> for your error) >> >> On Wed, Aug 29, 2018 at 7:49 PM, Dan Gil <[email protected]> wrote: >> >>> Hi, >>> >>> I would like to calculate the potential energy profile along the z-axis >>> of a system. >>> >>> I am using pp.x, but I am running into an error: "namelist plot not >>> found or invalid, exiting" >>> >>> I realize this is a fairly common error but I wasn't yet able to find >>> the reason for this problem... >>> >>> Here is my input: >>> - - - - - >>> &inputpp >>> prefix = 'pwscf' , >>> outdir = 'bulkQuartz/' , >>> filplot = 'tmpFP' , >>> plot_num = 1, >>> / >>> &plot >>> nfile = 1 , >>> weight(1) = 1.0, >>> iflag = 1, >>> fileout = 'tmpFileout', >>> e1(1) = 0, >>> e1(2) = 0, >>> e1(3) = 1, >>> x0(1) = 0, >>> x0(2) = 0, >>> x0(3) = 0, >>> nx = 2, >>> / >>> >>> - - - - - >>> >>> Best Regards, >>> >>> Dan Gil >>> PhD Candidate >>> Department of Chemical and Biomolecular Engineering >>> Case Western Reserve University >>> >>> _______________________________________________ >>> users mailing list >>> [email protected] >>> https://lists.quantum-espresso.org/mailman/listinfo/users >>> >> >> >> >> -- >> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, >> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy >> <https://maps.google.com/?q=Udine,+via+delle+Scienze+208,+33100+Udine,+Italy&entry=gmail&source=g> >> Phone +39-0432-558216, fax +39-0432-558222 >> >> _______________________________________________ >> users mailing list >> [email protected] >> https://lists.quantum-espresso.org/mailman/listinfo/users >> >> >> — >> Stefano Baroni - Trieste — http://stefano.baroni.me >> >> >> >> >> >> _______________________________________________ >> users mailing list >> [email protected] >> https://lists.quantum-espresso.org/mailman/listinfo/users >> > > > > -- > Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > > _______________________________________________ > users mailing list > [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users
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