[Pw_forum] questions about the ph.x

li yan liyanpcl at yahoo.com.cn
Sat Dec 31 14:31:56 CET 2005


dear all,
    i am calculating the phonon frequency of an X-point for AgI. both the scf and nscf parts are completed, but there is an erorr in the file agi.ph.out, that is
   
  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from  read_namelists  : error #         1
      reading namelist control 
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
   the iput codes about the agi.ph.in is 
  cat > agi.ph.in << EOF
phonon of AgI except Gamma
 &inputph
  tr2_ph=1.0d-16,
  prefix='agi',
  amass(1)=107.87,
  amass(2)=126.90,
  outdir='$TMP_DIR/',
  fildyn='dyn.$ic',
 /
0.2500000 0.1443376 0.0000000
EOF
$PARA_PREFIX $PW_ROOT/bin/pw.x $PARA_POSTFIX < agi.ph.in >agi.ph.out
would you please tell me the reason for this case?
  best regards
   

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