[Pw_forum] Problems Computing Cholesky for VC-Relax of MnO2

[Mostafa Youssef]

Dear Lance,


When I get this error, it is typically due to a parallelization issue. A
quick fix would be using  -ndiag 1 , so for example:

pw.x_location  -ndiag 1 <input_file> output_file.

Check the manual and forums for more details.

As a side, I highly doubt that  these  Mn and O  pseudopotentials converge
at 37 Ry, some testing may be needed to confirm.

Regards,
Mostafa
AUC, New Cairo, Egypt
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