Re: [SIESTA-L] Fwd: Electronic temperature default value and unit

for almost all practical calcs 300K is ok if you want to get more temperature dependence, etc. look papers devoted to it 2016-03-20 17:55 GMT+03:00 Rajan Singh : > Thank u Dr Maxim > > But should we kept it near zero Kelvin to get the exact ground state > energy of

Re: [SIESTA-L] Fwd: Electronic temperature default value and unit

Thank u Dr Maxim But should we kept it near zero Kelvin to get the exact ground state energy of system? Regards Rajan Sent from my Sony Xperia™ smartphone Максим Арсентьев wrote: >It is smearing. > >When F-D is used, then it is real temperature of your system, if M-V

Re: [SIESTA-L] Fwd: Electronic temperature default value and unit

It is smearing. When F-D is used, then it is real temperature of your system, if M-V it is not It is correct, if your system is nonmetalliuc 2016-03-20 10:07 GMT+03:00 RAJAN SINGH : > > Dear Siesta Users > > I read the manual where electronic temperature is written as

[SIESTA-L] Fwd: Electronic temperature default value and unit

Dear Siesta Users I read the manual where electronic temperature is written as 300 K p-p. What does that mean? Is is 300 K or something else?? Again How to decide the temp for band structure calculations? Please clarify my doubts. Thanking you With Regards Rajan Singh