[QE-users] problem in running pw.x

[Jaiparkash Sorout]

Dear all,

I have installed espresso on my new pc. everything goes well, but when I
rum pw.x using the command

mpiexec -np 8 ./pw.x < sheet1.in > sheet.out

my output shows

     Error in routine readpp (8):
     file /Home/qe/pseudo/C.pbe-van_ak.UPF not found

however both the pseudopotential files are there in the same folder

and my input file is


&CONTROL
calculation='vc-relax' ,
title='sheet' ,
verbosity='high' ,
restart_mode='from_scratch' ,
nstep=1000 ,
 pseudo_dir='/Home/qe/pseudo',
iprint=1 ,
tprnfor=.true. ,
outdir='./tmp' ,
disk_io='default' ,
tstress=.true. ,
forc_conv_thr=1.0d-4 ,
etot_conv_thr=1.0d-5 ,
  /
 &SYSTEM
ibrav = 0,
celldm(1) = 27.66559059,
nat = 76,
ntyp = 2,
ecutwfc = 40.0 ,
ecutrho = 400.0 ,
        nbnd = 189,
input_DFT = 'PBE' ,
occupations = 'fixed' ,
degauss = 1.0d-4 ,
smearing = 'marzari-vanderbilt' ,
 /
 &ELECTRONS
electron_maxstep = 500,
conv_thr = 1.0d-10 ,
mixing_mode = 'plain' ,
mixing_beta = 0.7d0 ,
 /
 &IONS
ion_dynamics='bfgs'
upscale=20.0
 /
 &CELL
  press_conv_thr = 0.5D0 ,
  press = 0.D0 ,
  cell_dynamics = 'bfgs' ,
  cell_dofree = '2Dxy' ,
  cell_factor = 2.0D0
 /
 ATOMIC_SPECIES
 C 12.011 C.pbe-van_ak.UPF
 H 1.008  H.pbe-van_ak.UPF

thanking in advance

with regards

Jai Prakash
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