[Pw_forum] problem of relaxation

[zyli]

Dear PWSCF users:

   I got the following error when doing a relax calculation.
Please check the following error message and also the input 
file, and give me some advices.

Sincerely 
zyli

---------ERROR MESSAGE--------------------------------------
     Total force =     0.107615     Total SCF correction =     0.003006
     searching for next position (pslinmin)...
     Eold  =  -1057.62966020
     Etot  =  -1057.62969370
     DEold =     -0.00024839
     DEtot =     -0.00145105
     linmin: 3rd order interpolation

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from linmin : error #         2
     unexpected error
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     stopping ...

-----------INPUT FILE-----------------------------------
Cu 001 3 layers +  5 vacuum + a cap H
Cu
 &control
    calculation='relax'
    restart_mode='from_scratch',
    pseudo_dir = '/public/soft/PWSCF/pseudo/',
    outdir='/tmp/weihe/'
 /
 &system
    ibrav= 6, celldm(1) = 9.660, celldm(3) = 2.828,
    nat=13, ntyp=2,
    ecutwfc = 60.0
    occupations='smearing', smearing='methfessel-paxton', degauss=0.05
 /
 &electrons
    conv_thr =  1.0d-6
    mixing_beta = 0.3
 /
 &ions
    upscale=10
 /
ATOMIC_SPECIES
 Cu 63.55 Cu.cpi.UPF
 H   1.01 H.cpi.UPF
ATOMIC_POSITIONS
 H    0.5000000      0.2500000      0.936176 0 0 1
 Cu   0.2500000      0.2500000      0.707107 0 0 0
 Cu   0.2500000      0.7500000      0.707107 0 0 0
 Cu   0.7500000      0.2500000      0.707107 0 0 0
 Cu   0.7500000      0.7500000      0.707107 0 0 0
 Cu   0.0000000      0.0000000      0.353553 0 0 0
 Cu   0.5000000      0.0000000      0.353553 0 0 0
 Cu   0.0000000      0.5000000      0.353553 0 0 0
 Cu   0.5000000      0.5000000      0.353553 0 0 0
 Cu   0.2500000      0.2500000      0.000000 0 0 0
 Cu   0.2500000      0.7500000      0.000000 0 0 0
 Cu   0.7500000      0.2500000      0.000000 0 0 0
 Cu   0.7500000      0.7500000      0.000000 0 0 0
K_POINTS (automatic)
 6 6 1 0 0 0



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