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Required Date: 2009/12/23 20:51 Name: jafar azamat   <jafar.azamat@azaruniv.edu> Dear Prof.T.Ozaki and OPENMX users I work via openmx & calculate quantum conductivity for our system.In our works, in conductivity file we have this error: i2 i3 k2 k3 conductance (G0, up spin) conductance (G0, down spin) # 0 0 0.0000 0.0000 nan nan what is nan?? please help me. Thank you very much.

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Re: Required ( No.1 ) Date: 2009/12/24 13:06 Name: N.Kolchenko   <nkolchenko@mail.ru> var = NaN (NaN - Not-a-Number) is the special form for result of an operation on invalid inputs, for example: if { (1.) var = 0/0, (2.) var = log(negative_value), (3.) var = any_function(NaN), .. etc.} then (var = nan). Program continue calculations and can finish with NaN in outputs (due to feature (3.)). More info - see, for example Wiki... Re: Required ( No.2 ) Date: 2010/01/09 03:29 Name: shahryar zeynali  <shahryar_zeynali54@yahoo.com> References: input file Dear professor: I am working Carbon nanotube & want to calculate Electronics propertis (DOS , Band structer)of carbon nanotube dopted by Boron & Nitrogen by Openmx. I can not Optimized & calculate this system. please give input file this system. thanks

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