[QE-users] Pencil decomposition

[Ghosh, Prasenjit]

In the command line you should add the following:

-pd .true.

For eg.

$/path_to_your_mpirun/mpirun -np 4 /path_to_your_qe/pw.x -pd .true. < name_of_input_file > name_of_output_file

With regards,
Prasenjit

----- Original Message -----
From: "Suraj P" <surajp at iitkgp.ac.in>
To: "users" <users at lists.quantum-espresso.org>
Sent: Monday, July 22, 2024 11:09:06 AM
Subject: [QE-users] Pencil decomposition

Dear QE users,
Im getting an error when I have done vc-relax calcualtion for Ni2P hexagonal lattice asking me to use pencil decomposition. Under which cards and what comment should be written to eliminate this error.
Im  attaching the input and output files of the same. kindly have a look into these.

Thanking you,
Suraj
Research student,
IIT Kharagpur
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