Thank you for reporting this. It will be soon fixed (I hope) in the developer version
Paolo On Thu, Jun 4, 2020 at 5:18 PM Lucas Nicolás Lodeiro Moraga < [email protected]> wrote: > Hi, > It seems to be the same problem that I had to face months ago. > I ran SOC-GGA calculations, and project without problem, but sumpdos > crashed out. I was working with version 6.1. I read the .f90 files of > projwfc and sumpdos programs, and I found a little I/O "error" in projwfc > for SOC case. The first row printed in output files is: E (eV) .... > But for SOC cases prints: E(eV) ... > Without spacing between E and (eV), this was the format (fmf) reading > error in the first line. > > You can change the I/O setup in projwfc.f90 and recompile, or use the > terminal option, to fix the output data: > sed -i -e 's/E(eV)/E (eV)/g' pdos.files > > With this fix, the sumpdos program works fine to me... It is a litle-big > headache, > I spent 2 weeks trying to find a solution. > I hope this solve your problem. > > Regards - Lucas Lodeiro > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) > 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
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