[QE-developers] Type of atom is too large

[Yang Zhou [el16yz]]

Dear Sir or Madam,

I am the beginner of Quantum Espresso. I am doing the DFT calculation on an octamolybdate which has 14 different types of atom in the super cell. The crash appear when I try to run the PW. The error statement is "ntyp too large, increase NSX".

I have checked the user list for this problem, but I failed to find solution to it. It will be very appreciated if you can solve this problem for me. Thank you.

Best wishes
Yang

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