[Pw_forum] STM images after CP calculations

[Eduardo Cisternas]

Dear QE community:

After suceesfull Car-Parrinello calculations in QE v5.1.1 for thiols/Au111
surface I wanted to obtain STM images for this system.

The last input was

+++++++++++++++++++++++++++++++++++++++++

&control

    title = 'd2tiofeno_b0',

    calculation = 'cp',

    disk_io = 'high',

    wf_collect = .TRUE.,

    pseudo_dir = '/home/ecisternas/pseudos'

    restart_mode = 'restart',

    ndr = 64,

    ndw = 65,

    nstep  = 10,
...
+++++++++++++++++++++++++++++++++++++++++

and was completed satisfactorily in a cluster.

However, when I try to obtain a .cube file (to generate
STM images) using the input file:

+++++++++++++++++++++++++++++++++++++++++
&inputpp
    prefix = 'd2tiofeno_b_65'
    filplot = 'd2tiobSTM'
    outdir = '/home/ecisternas/2015/d2tiofeno_b/'
    plot_num = 6,
    sample_bias=-0.3735d0,
 /
&plot
    nfile = 1,
    filepp(1) = 'd2tiobSTMtest',
    iflag = 3,
    output_format = 6,
    e1(1) = 0.1, e1(2) = 0.0, e1(3) = 0.0,
    e2(1) = 0.0, e2(2) = 0.1, e2(3) = 0.0,
    e3(1) = 0.0, e3(2) = 0.0, e3(3) = 1.0,
    x0(1) = 0.5, x0(2) = 0.5, x0(3) = 0.0,
/    nx = 40, ny = 40,
    nx = 4, ny=4, nz=4,
    fileout='d2tiobSTM_test.cube'

+++++++++++++++++++++++++++++++++++++++++

I don´t obtain the .cube file, despite the job ends without errors.

I will thank enormously any help with this issue.

Best regards,

-- 

*Dr. Eduardo Cisternas Jara*
Physics Department
Universidad de La Frontera

*Temuco - CHILE*
F: +56 - 45 - 232 52 46

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