Re: [Wien] Problem in x-optic

Thank you Gavin Sir and Laurence Marks sir, I will try to do it as per your instructions. Then I will tell you. On Sat, Feb 15, 2020 at 7:34 AM Peeyush kumar kamlesh < peeyush.physik@gmail.com>

Re: [Wien] Problem in x-optic

Dear Gavin Sir, 1. I tried with opticpara_lapw.patch but problem is still same. 2. w2web output has .case.symmat_1 file. 3. in .bashrc file SCRATCH is set to ./ 4. I am using parallel calculation and my .machine file is as follows: # 100:localhost 100:localhost 100:localhost 100:localhost

Re: [Wien] Problem in x-optic

I'm using the WIEN2k 19.1 opticpara_lapw file that fixed the hf bug that Prof. Blaha sent to mailing list on November 14, 2019 [1].  The / is there in Prof. Blaha's fixed opticpara_lapw file. Using the file you sent with / not there, I get the errors that you report. cat: .case.symmat_1: No

Re: [Wien] Problem in x-optic

Thank you so much sir. Now it is working fine. Best Regards On Sun, Feb 16, 2020 at 12:33 AM Peeyush kumar kamlesh < peeyush.physik@gmail.com> wrote: > Dear Sir, > Last time when I was calculation optical properties using hf potential > then i got some error. Then Peter Blaha sir suggested

Re: [Wien] Problem in x-optic

Dear Gavin Sir, opticpara_lapw file is as follows: #!/bin/tcsh -f # # Run optic in parallel mode # # $Author: M.Lee $ # touch .lock_ foreach i (.lock_*) rm $i end onintr exit set name = $0 set bin = $name:h #default directory for WIEN-executables if !(-d $bin) set bin = . set

Re: [Wien] Problem in x-optic

There is an error in your opticpara_lapw script. The "/" that should be at the end of about line 42 before the "#" is missing. It should be: set scratch=`echo $SCRATCH  | sed -e 's/\/$//'`/ # we are afraid However, you have: if ( $?SCRATCH && $SCRATCH != '') then   set scratch=`echo

Re: [Wien] Problem in x-optic

Dear Sir, Last time when I was calculation optical properties using hf potential then i got some error. Then Peter Blaha sir suggested to remove that /. And problem was solved by doing this. Thats why this / is not here. Best Regards On Sat, Feb 15, 2020 at 11:52 PM Peeyush kumar kamlesh <