[SIESTA-L] eig2bxsf code error

2018-05-02 Por tôpico Sunetra Das
Dear all SIESTA users, I am trying to use the post processing code eig2bxsf for mu system, which is giving me the following error: *Specify SystemLabel (or 'siesta' if none): GeC Found and opened: GeC.XV Found and opened:

[SIESTA-L] questions about scale factor for basis set in Siesta

2018-05-02 Por tôpico Hou, Songjun
Dear developer of Siesta, These days we are trying to modify the P basis of N in SIESTA, but I can not find more detailed information about the scale factor in manual. An example in SIESTA manual is shown as follows. . Could you please help me to find the detailed information about the scale f

Re: [SIESTA-L] Spin polarised band structure

2018-05-02 Por tôpico Sunetra Das
Thank you every one for your help. All this time I have been using gnuplot utility code to calculate band structures for spin-polarized systems but instead of getting two output files, one for each spin, I was getting a single output file. Does that mean I have to modify the gnubands.f code each