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</style><font face="Courier">When I am calculating gamma phonon,<br />error message is as follows<br /><br /><br />&nbsp;&nbsp;&nbsp;&nbsp; Program PHONON&nbsp;&nbsp;&nbsp; v.3.2.3&nbsp; starts ...<br />&nbsp;&nbsp;&nbsp;&nbsp; Today is 16Jul2008 at 18:14: 3<br /><br />&nbsp;&nbsp;&nbsp;&nbsp; Parallel version (MPI)<br /><br />&nbsp;&nbsp;&nbsp;&nbsp; Number of processors in use:&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 2<br />&nbsp;&nbsp;&nbsp;&nbsp; R &amp; G space division:&nbsp; proc/pool =&nbsp;&nbsp;&nbsp; 2<br /><br />&nbsp;&nbsp;&nbsp;&nbsp; Ultrasoft (Vanderbilt) Pseudopotentials<br /><br />&nbsp;%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br />&nbsp;&nbsp;&nbsp;&nbsp; from phq_readin : error #&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1<br />&nbsp;&nbsp;&nbsp;&nbsp; reading inputph namelist<br />&nbsp;%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br /><br />&nbsp;&nbsp;&nbsp;&nbsp; stopping ...<br /><br /><br />What is the problem?<br />I have tried many times as inputph changes,<br />I can not succeed.<br />Please help me out!!!<br /><br /><br />Input files are as follows<br /><br />#This is relaxing PW file<br />&nbsp;&nbsp; &amp;control<br />&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; prefix='H2'<br />&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; calculation='relax'<br />&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; restart_mode='from_scratch'<br />&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; pseudo_dir='$PSEUDO'<br />&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; outdir='./OUT'<br />&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; nstep=130<br />&nbsp;&nbsp; /<br />&nbsp;&nbsp; &amp;system<br />&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; ibrav= 0, celldm(1) =1.889726878, nat=2, ntyp=1, nspin=1<br />&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; ecutwfc=35, occupations='smearing', degauss=0.0007353,<br />&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; starting_magnetization(1)=0.001<br />&nbsp;&nbsp; /<br />&nbsp;&nbsp; &amp;electrons<br />&nbsp;&nbsp;&nbsp; electron_maxstep=250<br />&nbsp;&nbsp;&nbsp; mixing_mode = 'plain'<br />&nbsp;&nbsp;&nbsp; mixing_beta = 0.01<br />&nbsp;&nbsp;&nbsp; conv_thr = 1.0e-6<br />&nbsp;&nbsp; /<br />&nbsp;&nbsp; &amp;ions<br />&nbsp;&nbsp; /<br />ATOMIC_SPECIES<br />&nbsp;H&nbsp; 1.008&nbsp;&nbsp; H.pbe-van_bm.UPF<br />ATOMIC_POSITIONS {angstrom}<br />H&nbsp; 0.0&nbsp; 0.0&nbsp; 0.0<br />H&nbsp; 0.75&nbsp; 0.0&nbsp; 0.0<br />K_POINTS {automatic}<br />&nbsp;&nbsp; 1&nbsp;&nbsp; 1&nbsp;&nbsp; 1&nbsp;&nbsp; 0&nbsp; 0&nbsp; 0<br />CELL_PARAMETERS { cubic }<br />&nbsp;&nbsp; 11.00000&nbsp; 0.00000&nbsp; 0.00000<br />&nbsp;&nbsp;&nbsp; 0.00000&nbsp; 10.00000&nbsp; 0.00000<br />&nbsp;&nbsp;&nbsp; 0.00000&nbsp; 0.00000&nbsp; 10.00000<br /><br />#This is gamma phonon file<br />&nbsp;&amp;inputph<br />&nbsp; tr2_ph=1.0d-14,<br />&nbsp; prefix='H2',<br />&nbsp; epsil=.true.,<br />&nbsp; amass(1)=1.008,<br />&nbsp; outdir='$OUT/',<br />&nbsp; fildyn='H2.dynG',<br />&nbsp;/<br />0.0&nbsp; 0.0&nbsp; 0.0<br /></font>
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