Re: [SIESTA-L] Problem with Minimum split_norm parameter

2011-06-21 Por tôpico Martin Zoloff
Hi Artem, I've encountered this same problem recently and found that it was discussed in the list before... The solution was provided by Marcos VerĂ­ssimo Alves, whom I quote below: " I suppose you are running the example without changing the fdf file. I have just run th example using the serial v

[SIESTA-L] Problem with Minimum split_norm parameter

2011-06-20 Por tôpico Artem Baskin
Hello SIESTA users, I perform the band structure calculation of a system which contains 3 types of atoms: carbon, hydrogen and sodium. For all of them I use the standard DZP basis set. To my surprise, at the stage of SANKEY-TYPE ORBITALS analysis for the sodium atom, the calculations were interrup