Re: [Wien] query for -hf with lapw2 for properties

This is a little bit more complicated if the DOS is calculated with a k-mesh that is not the same as the one used during the scf calculation. After completion (and save_lapw) of the scf calculation, you need to follow the steps explained in section "Starting a calculation from another k-mesh" on

Re: [Wien] query for -hf with lapw2 for properties

Dear Sir, It is Wien2k_17.1.doss files are empty and optical files are written! log file is: Fri Feb 16 19:19:05 IST 2018> (x) lapw lapw1 -p Fri Feb 16 19:20:59 IST 2018> (x) lapw lapw2 -qtl -p -hf Fri Feb 16 19:21:01 IST 2018> (x) lapw tetra -p Fri Feb 16 19:21:02 IST 2018> (x) lapw1 -p Fri Feb

Re: [Wien] query for -hf with lapw2 for properties

Which version of WIEN2k are you using? On Friday 2018-02-16 14:31, chin Sabsu wrote: Date: Fri, 16 Feb 2018 14:31:16 From: chin Sabsu Reply-To: A Mailing list for WIEN2k users To: A. Mailing List for WIEN2k Users

[Wien] query for -hf with lapw2 for properties

Dear Wien2k Tran Sir and others, Do we need to put -hf switch with "x lapw2" when calculating the optical and doss properties from YS-PBE0?Without -hf I got optical and DOSs without any error but when I use -hf with lapw2 I am getting an error:  LAPW1 END  LAPW1 END  LAPW1 END FERMI - Error