[Pw_forum] format of ph.x input file
周健
zjian600 at hotmail.com
Fri Nov 1 16:42:06 CET 2013
Dear all,
I am learning to calculate phonon spectra by using ph.x, but the first step cannot be done correctly. After running a scf calculation, I submitted a ph.x input file as follows:
PHON
&INPUTPH tr2_ph=1.0d-10, prefix='sc', fildvscf='scdv', amass(1)=44.955910, outdir='./tmp', fildyn='sc.dyn', trans=.true., ldisp=.true., nq1=4, nq2=4, nq3=2,/
But I received an error message:
Error in routine phq_readin (1): reading title
Indeed I have input a title. Could anyone help me with this first step problem?
Thanks.
Jian
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