subject:"\[SIESTA\-L\] HOMO"

Re: [SIESTA-L] HOMO

2007-01-15 Thread Andrei Postnikov

On Mon, 15 Jan 2007, navaratnarajah kuganathan wrote: | Dear Users, | | I would be thankful to you, how can i generate HOMO and LUMO orbitals for the C60-porphyrin complexes(nearly 600 atoms).Thanks in advance Dear Kugnathan: Calculate Wavefunctions using e.g. %block WaveFuncKPoints 0.

[SIESTA-L] HOMO

2007-01-15 Thread navaratnarajah kuganathan

Dear Users, I would be thankful to you, how can i generate HOMO and LUMO orbitals for the C60-porphyrin complexes(nearly 600 atoms).Thanks in advance Sincerely Kugnathan - No need to miss a message. Get email on-the-go with Yahoo! Mail for