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</style><font face="Courier">When I am calculating gamma phonon,<br />error message is as follows<br /><br /><br />     Program PHONON    v.3.2.3  starts ...<br />     Today is 16Jul2008 at 18:14: 3<br /><br />     Parallel version (MPI)<br /><br />     Number of processors in use:       2<br />     R & G space division:  proc/pool =    2<br /><br />     Ultrasoft (Vanderbilt) Pseudopotentials<br /><br /> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br />     from phq_readin : error #         1<br />     reading inputph namelist<br /> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br /><br />     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 />   &control<br />      prefix='H2'<br />      calculation='relax'<br />      restart_mode='from_scratch'<br />      pseudo_dir='$PSEUDO'<br />      outdir='./OUT'<br />      nstep=130<br />   /<br />   &system<br />      ibrav= 0, celldm(1) =1.889726878, nat=2, ntyp=1, nspin=1<br />      ecutwfc=35, occupations='smearing', degauss=0.0007353,<br />      starting_magnetization(1)=0.001<br />   /<br />   &electrons<br />    electron_maxstep=250<br />    mixing_mode = 'plain'<br />    mixing_beta = 0.01<br />    conv_thr = 1.0e-6<br />   /<br />   &ions<br />   /<br />ATOMIC_SPECIES<br /> H  1.008   H.pbe-van_bm.UPF<br />ATOMIC_POSITIONS {angstrom}<br />H  0.0  0.0  0.0<br />H  0.75  0.0  0.0<br />K_POINTS {automatic}<br />   1   1   1   0  0  0<br />CELL_PARAMETERS { cubic }<br />   11.00000  0.00000  0.00000<br />    0.00000  10.00000  0.00000<br />    0.00000  0.00000  10.00000<br /><br />#This is gamma phonon file<br /> &inputph<br />  tr2_ph=1.0d-14,<br />  prefix='H2',<br />  epsil=.true.,<br />  amass(1)=1.008,<br />  outdir='$OUT/',<br />  fildyn='H2.dynG',<br /> /<br />0.0  0.0  0.0<br /></font>
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