[Pw_forum] phonon with soc

[Maedeh Zahedifar]

Dear all,

I start to calculate phonon with SOC , and the program created .dyn.xml

But when I start to calculate q2r.x and matdyn, it gives me an error:  STOP
1
At line 798 of file matdyn.f90 (unit = 1, file = '')
Fortran runtime error: File 'tinisn_scfsoc.fc' does not exist

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine q2r (1):
     error reading input namelist
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%




q2r.x.in : #!/bin/sh -f


PREFIX="tinisn_scfsoc"
#--------------------------------------

# q2r
cat > $PREFIX.q2r.in << EOF
&input
        fildyn='$PREFIX.dyn.xml',
        zasr='simple',
        flfrc='$PREFIX.fc'
EOF

/home-fs4/hp0273/espresso-5.2.1/PHonon/PH/q2r.x  < $PREFIX.q2r.in | tee
$PREFIX.q2r.out
~

~

Best,
Maedeh Zahedifar
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