Hello,
I compiled siesta 4.1-b3 with ifort13 after applying the patches, but when I run the band structure of graphene with SOC, I still got the 174 error when the SCF was done and entered into the non scf
band calculation. Attached is my makefile. Can gfortran avoid this issue? Could anyone give me some suggestions? Thanks in advance.
Hello,
I compiled siesta 4.1-b3 with ifort13 after applying the patches, but when I run the band structure of graphene with SOC, I still got the 174 error when the SCF was done and entered into the non scf
band calculation. Attached is my makefile. Can gfortran avoid this issue? Could anyone give me some suggestions? Thanks in advance.