[QE-users] Problem with the LDA-1/2 code (ld1)

Rishabh Saraswat rse2022507 at iiita.ac.in
Mon Feb 10 18:31:58 CET 2025


Greetings everyone,
I have been trying to understand how the LDA-1/2 code works, on the QE
version 6.7Max and even 7.2 and I tried running the example code for Si, in
/atomic/examples/pseudo-LDA-0.5, without changing anything.

Upon running the existing test.job I get the error:

"     task #        24
     from ld1_readin : error #         1
     inconsistent rcutv
"

I understand from the mailing list
https://lists.quantum-espresso.org/pipermail/users/2011-March/019748.html

that rcutv is sort of a convergence parameter. But I am unable to
understand the source of the inconsistent rcutv error or how to rectify it.
Any help is appreciated.

-- 
*Rishabh Saraswat*
Research Scholar
Nanoelectronics Lab
Indian Institute of Information Technology, Prayagraj
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