[Pw_forum] orbital charge density plot from hybrid calculation

[Junhyeok Bang]

Dear all:

I had a problem to get the orbital charge density. The complied pp.x works
for pbe functional calculations. However, it dose not work for pbe0
calculations giving below error message:

----error massage-------
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line        Source
pp.x               0000000000530660  divide_et_impera_          82
 divide_et_impera.f90
pp.x               00000000004EEEA5  read_file_                158
 read_file.f90
pp.x               000000000040941E  MAIN__                     42
 postproc.f90
pp.x               0000000000408E1C  Unknown               Unknown  Unknown
libc.so.6          0000003B9701D994  Unknown               Unknown  Unknown
pp.x               0000000000408D29  Unknown               Unknown  Unknown
---------------------------------

This is the whole output file.
----output file-------
     Program POST-PROC v.4.3.2  starts on  9Apr2013 at 11:38:23

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
          URL http://www.quantum-espresso.org",
     in publications or presentations arising from this work. More details
at
     http://www.quantum-espresso.org/wiki/index.php/Citing_Quantum-ESPRESSO

     Parallel version (MPI), running on    32 processors
     K-points division:     npool     =    2
     R & G space division:  proc/pool =   16

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1s, nr2s, nr3s values from input
---------------------------------

Does anyone know this problem?

For your information, I attached the input file for pw.x and pp.x below.
Thank you.

Junhyeok Bang.

input for pw.x-----------------------------------
 &control
    calculation='scf'
    restart_mode='from_scratch',
    pseudo_dir='/home/jbang/scratch_project/work_espresso/pot/'
    outdir='./caldata'
    prefix='SiHYBRID',
    tprnfor=.TRUE.
    tstress =.TRUE.
 /
 &system
    input_dft='pbe0', nqx1 = 1, nqx2 = 1, nqx3 = 1,
    exx_fraction = 0.25
    ibrav=1, celldm(1)=30.78365083894424738792,
    nat= 216, ntyp=2,
    nbnd    = 500
    ecutwfc = 25
    tot_charge = 0.0
    occupations = smearing
    degauss = 0.001
    smearing = fermi-dirac
    nspin    = 2
    starting_magnetization(1) = 1.0
    starting_magnetization(2) = 0.0
 /
 &electrons
    conv_thr =  5.0d-7
    mixing_beta = 0.3
    diagonalization = 'david'
 /
ATOMIC_SPECIES
 Si  28.0860   Si.pbe-mt_fhi.UPF
 P   30.9740   P.pbe-mt_fhi.UPF
ATOMIC_POSITIONS (crystal)
<atomic positions>
K_POINTS automatic
1  1  1   0.0  0.0  0.0
-----------------------------------
input for pp.x-----------------------------------
 &inputpp
    prefix   = 'SiHYBRID'
    outdir   = './caldata'
    filplot  = 'SiWAVE3D'
    plot_num = 7
    kpoint   = 1
    kband    = 433
    lsign    = .TRUE.
 /
 &plot
    iflag    = 3
    output_format = 4
    fileout  = 'SIWAVE'
    x0(1) = 0.000, x0(2) = 0.000, x0(3) = 0.000,
    e1(1) = 1.000, e1(2) = 0.000, e1(3) = 0.000,
    e2(1) = 0.000, e2(2) = 1.000, e2(3) = 0.000,
    e3(1) = 0.000, e3(2) = 0.000, e3(3) = 1.000,
    nx = 100, ny = 100, nz = 100
 /
-----------------------------------
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