Re: [SIESTA-L] error in LDOS and PDOS

Hello Sarah and Oleksandr, Actually, the problem is that siesta is writing ' * ' instead of any negative value of the m quantum number (replacing * for -1 doesn't work, because * might mean also -2 or -3). You can either replace by hand every * for its real value (-1, -2, ...) in the .PDOS or add

Re: [SIESTA-L] occupation

Hi All; when I  running some insulator  structure, some fractional occupation happens.how to avoid the fracitonal occupation ? Thanks

Re: [SIESTA-L] error in LDOS and PDOS

Hello Oleksandr and Pablo, Pablo, I wanted to calculate the PDOs over whole ranges of "m" therefore, I suppose that replacing "*" with -1 does not affect the result. If it is otherwise please let me know. What I am concerned about is that I have problem compiling the utilities with gfortran, for

Re: [SIESTA-L] error in LDOS and PDOS

I'm using g95 in my computer, and the definition DEF = -DWXML_INIT_FIX in the arch.make fixes the problem, I can compile the pdosxml utility, and the .PDOS file resulting after the simulation doesn't have any * so you can also use fmpdos. Does this solution work for you? Pablo On Mon, May 4,

Re: [SIESTA-L] error in LDOS and PDOS

Hi, It is amazing that g95 also does not work for me and gives out errors as I mentioned in the first email. Now that I am using fmpdos, from Dr. Postnikov's tools, I'll try "DEF = -DWXML_INIT_FIX " to see if I can get rid of *s. Regards,

[SIESTA-L] approving a new account

Hi, just out of curiosity, how long does it take to approve a new account? Or is the process of sending the paper version still in effect, as opposed to the email based registration? thanks Jonas Baltrusaitis University of Iowa

Re: [SIESTA-L] SIESTA School Announcement

Hello, I have the same problem. I registered one week ago and I still have no confirmation!? Ciao Iris Zitat von N H : Hi people I've sent my subscription on friday and have not received any confirmation or refutation up till now. can anyone help me? Cheers Ney 2009/4/30 Padilha Dear

[SIESTA-L] Fwd: Re: [SIESTA-L] SIESTA School Announcement

Hello, I have the same problem. I registered one week ago and I still have no confirmation!? Ciao Iris Zitat von N H : Hi people I've sent my subscription on friday and have not received any confirmation or refutation up till now. can anyone help me? Cheers Ney 2009/4/30 Padilha Dear

Re: [SIESTA-L] SIESTA School Announcement

Hi people I've sent my subscription on friday and have not received any confirmation or refutation up till now. can anyone help me? Cheers Ney 2009/4/30 Padilha > Dear Jose A. > > I would like to know if this version 3.0 of the siesta code will have the > implementation of the multigrid > me