Re: [SIESTA-L] Siesta 4.0 manual

2016-06-27 Por tôpico Jingxian Yu
Hi Nick, great, many thanks! Jin On 28-Jun-16 3:19 PM, Nick Papior wrote: Here it is with indices. For future reference, there is a Makefile for the documentation: Run these commands in the Docs directory: $> make $> make $> make extra $> make $> make Now you should be sure it has runned p

[SIESTA-L] COMPILATION ERROR

2016-06-27 Por tôpico Anju Saroha
Dear siesta users, I have installed siesta-trunk-515 using intel-check make file in Src/Sys. *It is running without any error when I am not using U (Hubbard parameter) but the moment I am giving the U parameter, it's aborting with an error shown below. * Can someone please help me in resolving the

Re: [SIESTA-L] siesta

2016-06-27 Por tôpico Nick Papior
Could you try the new.gnubands executable? This executable should relieve the problem you are seeing. 2016-06-27 10:48 GMT+02:00 木材 : > when I deal with the computed result of siesta and input order > "gnubands",it show that > *Dimensions in gnubands too small. how should I do to solve the prob

[SIESTA-L] [***Posible SPAM***]Re: siesta

2016-06-27 Por tôpico Zeila Zanolli
Hi, you edit the gnubands fortran code and increase the corresponding number (for example, number of bands). Recompile and enjoy. Cheers Z --- Dr. Zeila Zanolli RWTH Aachen, Institute for Theoretical Solid State Physics ETSF Research Te

[SIESTA-L] siesta

2016-06-27 Por tôpico ????
when I deal with the computed result of siesta and input order "gnubands",it show that Dimensions in gnubands too small. how should I do to solve the problem,I hope for geting your help