[QE-users] Pseudopotential created by ld1.x error: Error inarraytorealdp Too few elements found

Pietro Delugas pdelugas at sissa.it
Thu Feb 4 08:04:03 CET 2021


Hi 
The mechanism for reading the pseudos has changed since last 6.7 version, and this error should not show not at least with this message in the last version. Hopefully if you use 6.7 the error will be fixed. 

Pietro 

Sent from Mail for Windows 10

From: Elio Physics
Sent: Wednesday, February 3, 2021 10:55 PM
To: Quantum Espresso users Forum
Subject: [QE-users] Pseudopotential created by ld1.x error: Error inarraytorealdp Too few elements found

Dear all, 

I have constructed a norm conserving pseudpotential with spin orbit coupling using the ld1.x executable of QE version 6.6.  Everything went fine. However when I started an 'scf' calculation, the code stopped with the following message in the 'error file'

"Error in arraytorealdp
 Too few elements found"

I have seen a similar error that was fixed in version 6.3.

Please can anyone help me in this. My ld1.x input file has the following parameters:

&input
   prefix=''
   title=',
   zed=,
   rel=2,
   config=' ',
   iswitch=3,
   dft='PBE'
 /
 &inputp
   pseudotype=2,
   file_pseudopw='.rel-pbe-n-nc.UPF',
   author='TM',
   lloc=0,
   nlcc=.true.,
   tm=.true.
 /

Thanks in advance.

Elie Moujaes
Federal university of Rondonia
Porto Velho
Brazil

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