[Pw_forum] strange error with monoclinic structure

[Jörg Buchwald]

Hi,
to get the shear modulus i performed some simulations with a monoclinic
silicon lattice. I simulated with different angles.
For celldm(4)=0.004 or celldm(4)=0.002 it works, but if i set
celldm(4)=0.003 i get the following error

--
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from davcio : error #        99
     error while reading from file
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from davcio : error #        99
     error while reading from file
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...
--
an here is my input file:
--
&control
    calculation='scf'
    prefix='silicon',
    pseudo_dir='/home/joerg/espresso-4.3.1/pseudo'
    outdir = '/home/joerg/scratch',
    tstress=.true.
    disk_io='none'
 /
 &system
    ibrav=  12, celldm(1) =10.334309, celldm(2)=1.0, celldm(3)=1.00,
     celldm(4)=0.003, nat=  8, ntyp= 1, ecutwfc = 50.0,ecutrho=500.0
 /
 &electrons
    diagonalization='cg'
    mixing_mode='plain'
 /
 &ions
 /
 &cell
 /
ATOMIC_SPECIES
 Si  28.086  Si.pbe-n-van.UPF
ATOMIC_POSITIONS
 Si 0.00 0.00 0.00
 Si 0.25 0.25 0.25
 Si 0.50 0.50 0.00
 Si 0.75 0.75 0.25
 Si 0.50 0.00 0.50
 Si 0.75 0.25 0.75
 Si 0.00 0.50 0.50
 Si 0.25 0.75 0.75
K_POINTS automatic
 15 15 15 0 0 0
--
Do you have any idea what the problem could be?
Thx,
Jörg 

--
Jörg Buchwald
Leibniz-Institut fuer Oberflaechenmodifizierung e.V.
Permoserstrasse 15
04318 Leipzig
GERMANY