Dear All,
I am using espresso-5.2.0 in Ubuntu 14.04 and have a problem when executing
projwfc.x. I got the executable projwfc.x by entering 'make pw pp' on the
terminal. There was no problem when I used this for the first time.
However, when I executed for the second, third, and so on, I always found
this error message:
Serial version
Reading data from directory:
/home/efidwiindari/Desktop/espresso-5.2.0/tempdir/FAPIms/FAPIms.save
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine pw_readfile (1):
error opening xml data file
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
All previous calculation were well with no error message. Please find below
the input file:
&PROJWFC
outdir='/home/efidwiindari/Desktop/espresso-5.2.0/tempdir/FAPIms/',
prefix='FAPIms',
ngauss=1,
Emin=-19.0,
Emax=8.0,
deltaE=0.1,
filpdos='FAPIms.pdos'
/
I used the same format and typing as above in many calculations (before I
had a problem I posted beforehand
https://www.mail-archive.com/pw_forum@pwscf.org/msg28026.html), Thank you
for Ari Paavo Seitsonen for the help. It was really helpful. Yet, I don't
know why lately I could not obtain the pdos output file. I have done the
same tasks in different computer (with the same ubuntu and quantum espresso
types) but still there is no improvement. The same errors are still there.
Any comment and/or suggestion would really be appreciated.
Thank you in advance.
Best Regards,
Efi Dwi Indari
Research Assistant, Institut Teknologi Bandung
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