Re: [QE-users] Error in routine pw_readfile

2020-09-21 Thread hamed asadi
Dear Paolo, Thank you for your constructive advice, it worked well. On Mon, Sep 14, 2020 at 12:56 PM Paolo Giannozzi wrote: > Note that pw.x automatically add a slash at the end of outdir, so if you > specify > > outdir = '/home/hamed/Desktop/quartz/out' >> > > the data is written to /home/hame

Re: [QE-users] Error in routine pw_readfile

2020-09-14 Thread Paolo Giannozzi
Note that pw.x automatically add a slash at the end of outdir, so if you specify outdir = '/home/hamed/Desktop/quartz/out' > the data is written to /home/hamed/Desktop/quartz/out/pwscf.save. GIPAW behaves differently: tmp_dir = '/home/hamed/Desktop/quartz/out' > Reading data from director

[QE-users] Error in routine pw_readfile

2020-09-13 Thread hamed asadi
Dear QE users; I am trying to calculate efg and nmr for the following example. last Unfortunately, even though I reinstalled Quantum Espresso and reduced the version to 6.1, I still get the old error. I have attached the SCF and EFG input files below. Thanks in advance for any help. -