[Pw_forum] problem with projwfc calculation

Maria Tassi mtassi at phys.uoa.gr
Wed Mar 23 13:07:47 CET 2016


Dear users,

I am trying to perform a projwfc calculation with k-resolved=.true., but I
am taking the following error:
------------------------------------------
     task #         0
     from do_projwfc : error #         1
     reading projwfc namelist
------------------------------------------
Therefore, I suppose that is an error in my input file,  but I cannot find
it. Could you please help me? My input file is:

&projwfc
    outdir='/home/mtassi/qe/Bi2Se3/'
    prefix='Bi2Se3_pbeus'
    ngauss=0, degauss=0.03
    kresolveddos=.true.
    DeltaE=0.01
    filpdos='/home/mtassi/qe/Bi2Se3/Bi2Se3_pbeus_bulk_pdos.dat'
\


Thank you in advance
M. Tassi



-----
Dr. Maria Tassi
Post-Doctoral Researcher

National and Kapodistrian University of Athens, Faculty of Physics,
Department of Solid State Physics, Panepistimiopolis, Zografos, GR-15784
Athens, Greece

E-mail: mtassi at phys.uoa.gr
Tel.:	+30 210 7276758
Mobile:	+30 6932131934
Fax : 	+30 210 7276711




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