Dear all, i want to use GHOST keyword in order to create an oxygen vacancy in the monoclinic structure of HfO2. when trying to lunch this JOB with the input1.d12, i obtain this msg: SCF abnormal end - no wf written in fort.9.
Also when trying to do that manually by removing one oxygen according to input2.d12 it still fails. How to fix this problem please.
thank you for your kind help

Thank you very much for your kind response.

Thankyou very much for your response. I have mpirun (Open MPI) 4.0.3 on my ubuntu system. How to proceed. thanks in advance

Dear users
Please i need help to install the CRYSTAL17 Parallel execution. The serial sequence that i have previously installed works well.
Many thanks in advance