[Pw_forum] error becsum PAW calculation

[Ongari Daniele]

Dear Federico and Paolo,
I would like to be more precise about the solution of the problem


Error in Routine read_rho_general (1):
Reading PAW becsum

I discovered that the error occurs if you don't copy the file "${prefix}.paw" (with default prefix being 'pwscf') in the folder you're running the restart or the pp.
Note that the file .paw is outside the folder .save even if you specify wf_collect = .true.

(I also had the problem that in a vdw-DF2 calculation, the file 'vdW_kernel_table' is included in the folder .save, but must be outside that folder to work in a restart/pp calculation)


I hope I've been useful

Daniele Ongari
Laboratory of Molecular Simulation,EPFL, Sion (CH)


________________________________
From: Ongari Daniele
Sent: 14 April 2016 15:22
To: pw_forum at pwscf.org
Subject: Re: [Pw_forum] error becsum PAW calculation


Dear Federico and Paolo,
I just had the exact same problem

Error in Routine read_rho_general (1):
Reading PAW becsum

 moving from the cluster (where i run scfwith pw.x)  to my computer (where i run pp and need to read pwscf) using in both v5.3.0.
In my case I think was a problem of corruption during the transfer because i tried again o copy all the files and now it's working, whithout changing anything.

I hope I've been useful

Daniele










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