ABINIT Discussion Forums

Posted: **Mon Jun 11, 2018 7:21 am**

Hello abinit users!

Is there a way to start a SCF calculation from a provided charge density?

If I use getden it reads the density only for nscf calculations.

Can anyone help me with this?

Any comments would be most appreciated.

Thank you very much.

Posted: **Sat Jun 16, 2018 4:02 pm**

If you have a DEN file created from a previous Abinit run, you can use irdden 1 to read it at the start of a new calculation. getden only works in multi-dataset mode.

ABINIT Discussion Forums

how to start from initial charge density in SCF calc.

how to start from initial charge density in SCF calc.

Re: how to start from initial charge density in SCF calc.