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7.6 pw.x stops with 'inconsistent DFT' error

As a rule, the flavor of DFT used in the calculation should be the same as the one used in the generation of PPs, and all PPs should be generated using the same flavor of DFT. This is actually enforced: the type of DFT is read from PP files and it is checked that the same DFT is read from all PPs. If this does not hold, the code stops with the above error message.

If you really want to use PPs generated with different DFT, or to perform a calculation with a DFT that differs from what used in PP generation, change the appropriate field in the PP file(s), at your own risk.



Paolo Giannozzi 2009-10-01