Re: [*] Re: [SIESTA-L] Fsum rule is not fulfilled in optical part

2010-11-08 Por tôpico Sushil Auluck
hi, you can always reduce the grid points...that is for 0 - 20 eV if choose dE=0.05 eV...this will give you 20/0.05 +1 = 401 energy points..this will make the EPSIMG file small s.auluck Dear Juzar Thingna, *Thanks !* *Actually, I have ever tried to calculate the

Re: [*] Re: [SIESTA-L] Fsum rule is not fulfilled in optical part

2010-11-08 Por tôpico gonefar Yu
Dear Sushil Auluck * Thanks for your advice.* * Your refered to ' dE ' , how can you set ' dE ' ? What I only know setting 'dE' is by setting ' BrodenEnergy '.* *You know, 0.05 eV equals about 12 THz which is much larger than GHz frequency band. If I want to calculate * *GHz band and set

Re: [*] Re: [SIESTA-L] Fsum rule is not fulfilled in optical part

2010-11-08 Por tôpico Sushil Auluck
hi, if you look at the epsimg file the eps is given at different energies... dE is the difference between two sucessive energy values...either you can fix dE or N # of energy steps...for 0-20 eV dE=0.05 eV N=401. note that epsimg is not valid in the microwave range s.auluck Dear Sushil