Re: [SIESTA-L] Error in TranSiesta

Thank you for your reply. It is the first calculation for electrode and from this step, TSHS file must be produced. On Tue, Feb 19, 2019 at 12:37 AM Nick Papior wrote: > Probably the electrode TSHS files are not present in the directory. > Please ensure you follow the correct steps of a

Re: [SIESTA-L] Error in TranSiesta

Probably the electrode TSHS files are not present in the directory. Please ensure you follow the correct steps of a transiesta calculation: 1) Calculate each of the electrodes with transiesta 2) Specify the electrode TSHS files in the device fdf file 3) Run the device system. Den lør. 16. feb.

[SIESTA-L] Error in TranSiesta

Hello everybody, I've encountered a problem with the message ".TSHS File not found in TSiokp" while running transiesta even in running transiesta Tests. Any help in this regard would be appreciated. Cheers Ziba Torkashvand

Re: [SIESTA-L] error from Transiesta calculating I-V characterisitc

Dear Dr. Papior, I appreciate your attention to this matter. Sincerely yours, Maryam Jamaati On Tue, Nov 20, 2018 at 12:31 AM Nick Papior wrote: > These are not errors, you can "safely" ignore them. In the next 4.1-b5/4.1 > release the manual will contain details of what they mean. > >

[SIESTA-L] error from Transiesta calculating I-V characterisitc

Dear Siesta users, We are calculating the I-V characteristic of a hybrid structure. For zero bias voltage Transiesta converges very fast. But for other bias voltages it didn't converge. We changed scf parameters and it converged. We increased number of contour points. Now. scf converges but the

Re: [SIESTA-L] error in transiesta running

In the electrode calculation, you shouldn't use an offset in the transport direction. 2017-11-06 9:05 GMT+01:00 Farzaneh Farzadi : > Dear Papior > > I am really sorry due to the wrong attached file. I had sent a tbtrans > output instead of transiesta one. now I have enclosed

Re: [SIESTA-L] error in transiesta running

Dear Papior I am really sorry due to the wrong attached file. I had sent a tbtrans output instead of transiesta one. now I have enclosed my transiesta output at zero bias. The error is arisen from the electrode K-grids. I don't know what I should do to overcome the problem. my system consists of

Re: [SIESTA-L] error in transiesta running

Dear Farzaneh, According to the output file, the procedure for creating .TSHS file of right electrode couldn't be calculated correctly. Please check the structure of the right electrode and do the corresponding computation again! Regards, Esameil. On Thu, Nov 2, 2017 at 10:03 AM, Farzaneh

Re: [SIESTA-L] error in transiesta running

There are a couple of things that worry me in your calculation. 1) Your attached output is from tbtrans, not from transiesta. These are two different programs. 2) Tbtrans informs you that the right electrode has no transfer matrix (this should be clear from the output). If there is no transfer

[SIESTA-L] error in transiesta running

Dear transiesta users I have got into trouble in transiesta 4.1-b3 running. I have enclosed a file including my output. If possible please help me to solve the problem. any help will be really appreciated. best regards out.fdf Description: Binary data

[SIESTA-L] error in TranSiesta Installation

Dear Siesta Users, When I try to install TranSiesta in siesta-3.2 package I came across the following error: nts.o m_ts_iodm.o m_ts_io.o m_ts_scattering.o m_ts_contour.o m_ts_electrode.o m_ts_in_siesta.o libfdf.a \ \ dc_lapack.a liblapack.a libblas.a

Re: [SIESTA-L] error in TranSiesta Installation

It cannot find your lapack library. Ensure you have -Lpath to liblapack.a in the LIBS environment variable. 2014-09-02 5:57 GMT+00:00 Manjeet Bhatia manjeetbhati...@gmail.com: Dear Siesta Users, When I try to install TranSiesta in siesta-3.2 package I came across the following error: nts.o

Re: [SIESTA-L] error in TranSiesta Installation

Dear Manjeet During configuration give the path of lapack and blas then make transiesta or alternatively you can try transiesta in siesta-trunk-462. I have compiled transiesta without giving the path of separate lapack and blas insiesta-trunk-462 . All the best. Dr Mohan L Verma Prof

[SIESTA-L] error in transiesta run

Hi siesta users I run a graphene structure with transiesta. Suddenly in the middle of the Scattering part's run the following error occurred (The error occurred right after the convergence of the SCF loop and at the beginning of the transiesta calculation.): *** glibc detected ***

[SIESTA-L] Error in Transiesta ABORT(FOX)

Hi, I'm a new user of transiesta and trying to run the fast example given in the siesta package (siesta-3.0-rc2/Tests/transiesta/Fast/). But I'm not getting through it. I get the messege : ABORT(FOX) Tried to add text section in wrong place: 3 abort: at the end of the .out file. And I'm not