[Pw_forum] can you help me?

Diego Moreno diegovmorenor at gmail.com
Fri Sep 9 03:10:09 CEST 2005


Dear espresso users:
I compiled espresso v2.1.4 with ifc 8.0 and mkl721 and all examples is 
"done", During my phonons calculations for tungsten bcc crash with message:
en bash 
q=0.00,1.00,0.00...forrtl: severe (24): end-of-file during read, unit -5, 
file Internal List-Directed Read
Image PC Routine Line Source
pw.x 08572B88 Unknown Unknown Unknown
pw.x 085723EC Unknown Unknown Unknown
pw.x 0853BE4D Unknown Unknown Unknown
pw.x 08500388 Unknown Unknown Unknown
pw.x 0850082B Unknown Unknown Unknown
pw.x 08513F68 Unknown Unknown Unknown
pw.x 0818AFA3 Unknown Unknown Unknown
pw.x 0818AE94 Unknown Unknown Unknown
pw.x 080C7AF2 Unknown Unknown Unknown
pw.x 080C4CF0 Unknown Unknown Unknown
pw.x 0804EE46 Unknown Unknown Unknown
pw.x 0804ECB8 Unknown Unknown Unknown
libc.so.6 40495974 Unknown Unknown Unknown
pw.x 0804EB71 Unknown Unknown Unknown

and my input is :

&control
calculation='phonon'
restart_mode='from_scratch',
prefix='W',
pseudo_dir = '/home/diego/ESPRESSO/Software/Pseudopotenciales/',
outdir='/scratch/'
/
&system 
ibrav= 0, celldm(1) =5.4691, nat= 2, ntyp= 2,
ecutwfc =18.0, occupations='smearing', smearing='methfessel-paxton',
degauss=0.05
/
&electrons
mixing_beta = 0.7,
conv_thr = 1.0d-8
/
&phonon
xqq(1) = 0.00, xqq(2) = 1.00, xqq(3) = 0.00
/
ATOMIC_SPECIES
W 183.84 W.pz-bhs.UPF
CELL_PARAMETERS 
1.0 0.0 0.0
0.0 1.0 0.0
0.0 0.0 1.0
ATOMIC_POSITIONS 
W 0.0 0.0 0.0
W 0.5 0.5 0.5
K_POINTS 
28
0.0 0.0 0.0 1.0
0.0 0.0 0.1 1.0
0.0 0.0 0.2 1.0
0.0 0.0 0.3 1.0
0.0 0.0 0.4 1.0
0.0 0.0 0.5 1.0
0.0 0.0 0.6 1.0
0.0 0.0 0.7 1.0
0.0 0.0 0.8 1.0
0.0 0.0 0.9 1.0
0.0 0.0 1.0 1.0
0.0 0.0 0.0 1.0
0.0 0.1 0.1 1.0
0.0 0.2 0.2 1.0
0.0 0.3 0.3 1.0
0.0 0.4 0.4 1.0
0.0 0.5 0.5 1.0
0.0 0.6 0.6 1.0
0.0 0.7 0.7 1.0
0.0 0.8 0.8 1.0
0.0 0.9 0.9 1.0
0.0 1.0 1.0 1.0
0.0 0.0 0.0 1.0
0.1 0.1 0.1 1.0
0.2 0.2 0.2 1.0
0.3 0.3 0.3 1.0
0.4 0.4 0.4 1.0
0.5 0.5 0.5 1.0

and for ph.x is 
fonones para W
&inputph
tr2_ph=1.0d-12,
prefix='W',
amass(1)=183.84,
outdir='/scratch',
fildyn='dyn.0.00,1.00,0.00'
/

thanks for help me 

Diego Moreno
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