Re:Re: [SIESTA-L] TBTRANS run time error

2010-06-25 Por tôpico 郭振东
Thank you very much. Could you tell me how to check the file *.TSDS ? I really appreciate your help. >Did you run the transiesta example? It should be some error about the >data of *TSHS, check it first. > >2010/6/25 Zhendong Guo : >> Dear All, >> >> >> When I use the 'TBTRANS'  to calculate the I

Re: [SIESTA-L] the SC problem

2010-06-25 Por tôpico Jose A. Torres
Dear Andrei Postnikov number 2: You may know that one of the SIESTA core members name is exactly Andrei Postnikov., such as yours. So we have been a bit confused sometimes about your questions thinking it was him. May I kindly ask you to change your signature name if possible? You may for examp

Re: [SIESTA-L] option in transport

2010-06-25 Por tôpico Frederico Dutilh Novaes
Hi Yoshi, On 06/24/2010 04:57 PM, yo...@df.ufscar.br wrote: > Hi all, > > The option OccupationFunction MP > can affect the scf cicle of transiesta? No, it wouldn't. I have a convergence problem which > value does not decrease below of the 0.0014 value. In the scf cicle of > siesta, the c

Re: [SIESTA-L] TBTRANS run time error

2010-06-25 Por tôpico shizheng wen
Did you run the transiesta example? It should be some error about the data of *TSHS, check it first. 2010/6/25 Zhendong Guo : > Dear All, > > > When I use the 'TBTRANS'  to calculate the I- V curves,  I always meet  the > following error. > > Perhaps some of you have met this problem before, could

[SIESTA-L] TBTRANS run time error

2010-06-25 Por tôpico Zhendong Guo
Dear All, When I use the 'TBTRANS' to calculate the I- V curves, I always meet the following error. Perhaps some of you have met this problem before, could you tell me how to solve this problem? Because I just added myself to the list and the screening systems by the Chinese government, I ca