<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;"><DIV>Dear all, </DIV>
<DIV>   I want to calculate phonon frequencies at Gamma for superconductor KOs2O6, according to the example02, first I run scf calculation using pw.x command without any error, but when I perform the phonon calculation, the error appears as forrows:</DIV>
<DIV>   from phq_readin: error #       1</DIV>
<DIV>   no elec. field with metals</DIV>
<DIV>Who can tell me why? Thank you very much!</DIV>
<DIV> </DIV>
<DIV>The input files as follows:</DIV>
<DIV>kos2o6.scf.in</DIV>
<DIV>  &CONTROL<BR>                 calculation = 'scf' ,<BR>                restart_mode = 'from_scratch' ,<BR>                      outdir = '/home/ww/data/kos2o6/' ,<BR>                      wfcdir = '/home/ww/data/kos2o6/' ,<BR>                  pseudo_dir = '/home/ww/PWscf/pseudo/' ,<BR>                      prefix = 'kos2o6' ,<BR> /<BR> &SYSTEM</DIV>
<DIV>                       ibrav = 2,<BR>                   celldm(1) = 19.0945,<BR>                         nat = 18,<BR>                        ntyp = 3,<BR>                     ecutwfc = 60 ,<BR>                     ecutrho = 600
 ,<BR>                 occupations = 'smearing' ,<BR>                     degauss = 0.03<BR>                    smearing = 'gauss' ,<BR> /<BR> &ELECTRONS<BR>                    conv_thr = 1.0D-8 ,<BR>                 mixing_beta = 0.7 ,<BR> /<BR>ATOMIC_SPECIES<BR>    K   39.10000  K.pbe-sp.UPF<BR>   Os  190.20000  Os.pbe-n-van.UPF<BR>    O   16.00000  O.pbe-van_ak.UPF<BR>ATOMIC_POSITIONS crystal<BR>  
 ....</DIV>
<DIV>K_POINTS {automatic}<BR>  10  10  10  0  0  0<BR></DIV>
<DIV>kos2o6.phG.in:</DIV>
<DIV>     phonons of kos2o6 at Gamma<BR> &inputph<BR>  tr2_ph=1.0d-14,<BR>  prefix='kos2o6',<BR>  epsil=.true.,<BR>  amass(1)=39.10,<BR>  amass(2)=190.2,<BR>  amass(3)=16.00,<BR>  outdir='/home/ww/data/kos2o6/',<BR>  fildyn='kos2o6.dynG',<BR> /<BR>0.0 0.0 0.0<BR></DIV></td></tr></table><br>


      <hr size=1><a href="http://cn.rd.yahoo.com/mail_cn/tagline/card/*http://card.mail.cn.yahoo.com/">  好玩贺卡等你发，邮箱贺卡全新上线！</a>