Hi, Did you start your phonon calculation after scf-step?
Bests, Eyvaz. --- Diego Moreno <diegovmorenor at gmail.com> wrote: > 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 > __________________________________________________ Do You Yahoo!? Tired of spam? Yahoo! Mail has the best spam protection around http://mail.yahoo.com
