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A problem when ecutrho was used 
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Joined: Fri Jan 12, 2018 9:29 am
Posts: 3
University: shanghai University
Post A problem when ecutrho was used
Dear all,
I encountered a problem when I was running the EPW code by using USPP: If only ecutwfc was defined or ecutwfc and ecutrho were both defined (ecutrho is small) in SCF and NSCF, and then the EPW ran well; however, the EPW would always keep at follow status and couldn’t run to next step if ecutrho was large (e.g. 240 Ry for my computer). I don’t know why and can you give me some suggestions?

The epw.out:
-----------------------------------------------------------------------------
http://www.quantum-espresso.org/quote

Parallel version (MPI), running on 28 processors

MPI processes distributed on 1 nodes
K-points division: npool = 28

Reading data from directory:
./graphene.save/

IMPORTANT: XC functional enforced from input :
Exchange-correlation = PBE ( 1 4 3 4 0 0)
Any further DFT definition will be discarded
Please, verify this is what you really want

file C.pbe-mt_fhi.UPF: wavefunction(s) 4f renormalized
G-vector sticks info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Sum 1189 1189 397 202311 202311 39267


Tue Mar 06, 2018 8:50 am
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