[Pw_forum] GIPAW calculation: from davcio : error # 10, error while reading from file

[Yong Xue]

Dear all
I am doing a gipaw calculation for a system composed of C, H and O. the scf
was done, however, I constantly get the

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

from davcio : error # 10

error while reading from file

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stopping ...

Here is my input for scf:

&CONTROL

calculation = 'scf' ,

restart_mode = 'from_scratch' ,

pseudo_dir = './'

outdir = './tmp'

tprnfor = .true.

/

&SYSTEM

ibrav = 0

celldm(1) = 1.520678192

nat = 80

ntyp = 3

ecutwfc = 100.0

ecutrho = 1000.0

nosym = .true.

/

&electrons

diagonalization='cg'

mixing_beta = 0.7

conv_thr = 1.0d-8

/

ATOMIC_SPECIES

C 12.00000 C.pbe-tm-gipaw.UPF

O 16.00000 O.pbe-tm-gipaw.UPF

H 1.00000 H.pbe-tm-gipaw.UPF

K_POINTS automatic

1 1 1 1 1 1

CELL_PARAMETERS (alat= 1.52067819)

14.045234589 -0.371585797 -3.502375459

0.596202134 9.598755317 -1.512618322

-3.436541723 0.010761788 14.451185117

ATOMIC_POSITIONS (crystal)
Here is my input for nmr

&inputgipaw

job = 'nmr'

tmp_dir = './tmp/'

q_gipaw = 0.01

spline_ps = .true.

use_nmr_macroscopic_shape = .true.

/

-- 
Ms. Xue  Yong(雍雪)
Department of Physics and Engineering Physics
University of Saskatchewan
116 Science Place
Saskatoon, SK S7N 5E2
Canada
Tel: +1 306 261 2369
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