Just replace the old one (in $WIENROOT) by the new one. No need to recompile. csh/tcsh/bash scripts do not need to be compiled.
________________________________________ From: Wien <wien-boun...@zeus.theochem.tuwien.ac.at> on behalf of shamik chakrabarti <shamik15041...@gmail.com> Sent: Sunday, November 28, 2021 11:32 AM To: A Mailing list for WIEN2k users Subject: Re: [Wien] Continuing confusion in dos... How to use this script? should I copy this script in some folder (which folder?) in the parent directory of wien2k & recompile...I am using wien2k 19.1 On Sun, 28 Nov 2021 at 15:43, Tran, Fabien <fabien.t...@tuwien.ac.at<mailto:fabien.t...@tuwien.ac.at>> wrote: That means that this option for run_kgenhf_lapw was not yet available for the WIEN2k release you are using. I attached the updated run_kgenhf_lapw script. For the DOS, you need to figure out if you really need a better k-mesh. If yes, then search for information about how to choose a proper one. ________________________________________ From: Wien <wien-boun...@zeus.theochem.tuwien.ac.at<mailto:wien-boun...@zeus.theochem.tuwien.ac.at>> on behalf of shamik chakrabarti <shamik15041...@gmail.com<mailto:shamik15041...@gmail.com>> Sent: Sunday, November 28, 2021 10:57 AM To: A Mailing list for WIEN2k users Subject: [Wien] Continuing confusion in dos... Dear Dr. Tran, I have tried with the command " run_kgenhf_lapw -newklist" in terminal...however, it says that the option .-newklist does not exist. Hence, I have done the followings (1) Init_hf_lapw (2) Did not change anything in case.inhf (3) I have put nx=2, ny=2, nz=1 & for the reduced klist, again nx=2, ny=2, nz=1 (4) Eventually run " run(sp) lapw -hf -redklist -i 1 Is it correct? looking forward to your reply. with regards, -- Dr. Shamik Chakrabarti Research Fellow Department of Physics Indian Institute of Technology Patna Bihta-801103 Patna Bihar, India _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at<mailto:Wien@zeus.theochem.tuwien.ac.at> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html -- Dr. Shamik Chakrabarti Research Fellow Department of Physics Indian Institute of Technology Patna Bihta-801103 Patna Bihar, India _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
