Dear Rita By a coincidence, I had a very similar problem today (I use plot_num=7 instead of 8). Finally, everything went all right with the input file below.
&INPUTPP filplot='wavefunction700.wfn', kband=700, outdir='./', plot_num=7, kpoint=1, lsign=.true., spin_component=0, / &plot iflag=3, output_format=5 fileout = 'Si35H36-band700.xsf' / Please note that it is necessary that you run pw.x and pp.x with the same number of cores, e.g. using: mpirun -np 32 /QE_files/pw.x < scf.in mpirun -np 32 /QE_files/pp.x < wfcs.in I hope that this can help you. Best regards. 2017-05-02 19:45 GMT+02:00 Rita Maji <rita.m...@niser.ac.in>: > Hi All, > There is some problem in ELF calculation . following is the input file, > can anybody help me . > > &INPUTPP > outdir = './tmp' > prefix = 'nh3' > filplot = 'local' > plot_num = 8 > / > &PLOT > iflag = 3 > output_format = 5 > fileout = 'diff.xsf' > / > > > > > Thanks, > Rita > NISER, BHUBANESWAR > INDIA > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- -- Dr. Pablo García Risueño Institut für Physikalische Chemie, Universität Hamburg, Grindelallee 117, 20146 Hamburg Tel. +49 040 42 83 84 82 7
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