Dear, Let me see the output file of the test you did with the PAO base (Test.out) that I have proposed and if possible the input file of gallium pseudopotential (Ga.tm2.inp).
Best regards,
Karim
Dear, Let me see the output file of the test you did with the PAO base (Test.out) that I have proposed and if possible the input file of gallium pseudopotential (Ga.tm2.inp).
Best regards,
Karim