Re: [SIESTA-L] It cannot generated *.TSHS after the TRANSIESTA calculation

I am guessing you are using siesta 4.1? If so then the TSHS file is *only* generated if the SCF step has successfully completed. Also please look through the output of transiesta. Always do this, it typically provides hints as to why something went wrong. 2017-07-04 10:38 GMT+02:00 成爱强

Re: [SIESTA-L] It cannot generated *.TSHS after the TRANSIESTA calculation

For .TSHS* generating, the following tag must be true. TS.HS.Save true and also notice the solution method must be transiesta. SolutionMethod transiesta Regards, Azar On Tue, Jul 4, 2017 at 11:38 AM, 成爱强 wrote: > Hello,everyone > I am solving the electronic

[SIESTA-L] It cannot generated *.TSHS after the TRANSIESTA calculation

Hello,everyone I am solving the electronic transport properties of the electronic structure ，but after the TRANSIESTA ran out ,it can not generate the *.TSHS file。 I want to know what the reasons can cause this accident. -- Best regards. Cheng Aiqiang