Hello All, Just to ask that question again that I have a problem with PDOS calculations. Here is my problem. I want to calculate PDOS and I use the FeN example. It wroks,but when I want to calcuate PDOS then I always get the following message. make: *** [completed_work] Error 174 It generate the .DOS and .PDOS files. The .DOS is okay, but the PDOS file only has the Energy and it does not show the PDOS. My output file shows siesta: Temp_ion = 0.000 K * Maximum dynamic memory allocated = 11 MB siesta: PDOS info: siesta: e1, e2, sigma, nhist: -30.00 eV 15.00 eV 0.20 eV 500 And it stops here. Any help and how to solve this problem I am using SIESTA-3.0-rc2. Regrad
--- On Sat, 5/28/11, Michael Shin <[email protected]> wrote: From: Michael Shin <[email protected]> Subject: Re: [SIESTA-L] PDOS_problem To: [email protected] Date: Saturday, May 28, 2011, 10:42 AM Helo I want to calculate PDOS and I use the FeN example. It wroks,but when I want to calcuate PDOS then I always get the following message. make: *** [completed_work] Error 174 It generate the .DOS and .PDOS files. The .DOS is okay, but the PDOS file only has the Energy and it does not show the PDOS. My output file shows siesta: Temp_ion = 0.000 K * Maximum dynamic memory allocated = 11 MB siesta: PDOS info: siesta: e1, e2, sigma, nhist: -30.00 eV 15.00 eV 0.20 eV 500 And it stops here. Any help and how to solve this problem I am using SIESTA-3.0-rc2. Regrad Mic
