Re: [SIESTA-L] the problem in compiling rho2xsf.f

Dear Jianwei Wei, the problem is that you mix up different versions of Sies2xsf in the same directory, notably subroutine test_ani appears in the file test_md.f of the old version and test_ani.f of the new version. I don't know which other problems might follow. Try to compile the new version in a

[SIESTA-L] LDA+U

Dear All According to the article Phys. Rev. B 70, 235209 (2004), LDA+U scheme would be available in the siesta code. However, I did not find it in the current distribution (siesta-2.0.2). Does anybody know if LDA+U is already implemente? Thanks in advance. Walter

Re: [SIESTA-L] the problem in compiling rho2xsf.f

Dear Andrei Postnikov: I am sorry about mistaking the means of the error notes. I extract the tar.gz into a new clean directory and make again, it works. You have given out the correct anwsers, but I had not get it. I greatly apprecite your indefatigable reply. Best regards Jianwei