[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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