Re: [SIESTA-L] help to analyse the result of wavefunction...

2010-09-10 Por tôpico akhukov
Dear All, I have one example for 2D print of wave functions for graphene. This is a complete set of input and output files: ftp://ftp.science.ru.nl/pub/tcm/ma.akhukov/Graphene/100x100x01.fdf/ There are pictures for DOS, PDOS, e-bands, 2D wave functions and charge at Gamma point, 1D slices were

Re: [SIESTA-L] help to analyse the result of wavefunction...

2010-09-09 Por tôpico shizheng wen
Dear all, These days I am trying to use the Denchar program. It seems that the program can only deal with the orthogonal crystal vector. So if I want to plot the wavefuction of the non-orthogonal lattice vectors based system, how can I do this? Best regards, Shizheng Wen 2010/5/31 Jackie Wan >

[SIESTA-L] help to analyse the result of wavefunction...

2010-05-31 Por tôpico Jackie Wan
Dear All, First of all, thank you for your time. I’m learning to analyze the results, such as to visualize the molecular orbital and also look into the DOS and PDOS et. al. But when go through the Denchar program and its user guide, I cannot really catch it idea and had some problem. I wonder if s