Re: [Wien] Fwd: YS-PBE0 with -so

Dear Tran, I have loaded the Wien2k_19.1 version and I see all the bugs have been fixed. Will update here if I still encounter any issue. Bhamu On Sun, Aug 11, 2019 at 12:40 AM wrote: > Hi, > > When the HF/hybrid calculation starts, a vector file (if present) > generated from a previous

Re: [Wien] Fwd: YS-PBE0 with -so

WIEN2k 19.1 has the fixes for the first two bugs [1,2].  It should not have the fix for the third bug [3]. If you would like to use my hfpara_lapw.patch for resolving the third bug [3], make sure you are using the current package dated 25/6/2019 from the download area of the WIEN2k website

Re: [Wien] Fwd: YS-PBE0 with -so

Thanks Gavin for the update. Yes the new version is WIEN2k_19.1 (Release 25/6/2019). I have applied your patch. Will update the status of the calculations here. Regards Bhamu On Sun, Aug 11, 2019 at 5:45 PM Gavin Abo wrote: > WIEN2k 19.1 has the fixes for the first two bugs [1,2]. It should