Re: [Wien] Boltztrap for spin polarized materials

Hi Gavin Thanks it works... Thanks for your input... Regards On Sun, Mar 8, 2015 at 9:11 PM, Gavin Abo wrote: > In a terminal, run: > > path-to-BoltzTraP/src/x_trans -h BoltzTraP > > Change path-to-BoltzTraP to where BoltzTraP is located on your system. > For example, path-to-BoltzTraP on my s

Re: [Wien] Boltztrap for spin polarized materials

In a terminal, run: path-to-BoltzTraP/src/x_trans -h BoltzTraP Change path-to-BoltzTraP to where BoltzTraP is located on your system. For example, path-to-BoltzTraP on my system is "~/boltztrap-1.2.5": ~/boltztrap-1.2.5/src/x_trans -h BoltzTraP In the output, you should see that you need th

[Wien] Boltztrap for spin polarized materials

Dear All, We have been working on transport properties for some materials. We were able to run boltztrap for normal materials. However when we run scf with spin polarized calculation, Boltztrap does not work and gives an error "ERROR IN OPENING FILE (look in output)" We are not sure if Boltztrap

Re: [Wien] (no subject)

Search the archive: http://www.mail-archive.com/search?q=%22FERMI+-+Error%22&l=wien@zeus.theochem.tuwien.ac.at On 3/8/2015 1:53 AM, Qasim Mahmood wrote: Dear Wien2k Users, I am working on alloys under pressure study during run SCF following error occur. what should I do? FORTRAN STOP FERMI -

[Wien] (no subject)

Dear Wien2k Users, I am working on alloys under pressure study during run SCF following error occur. what should I do? FORTRAN STOP FERMI - Error (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error (