Re: [Wien] How to use the LIBXC library?

2017-01-19 Thread Abderrahmane Reggad
You have right Dr gavin When I have opened the link in another web browser I could get the new version of userguide.I get the same version after I have delete the cash data. Thanks Best regards -- Mr: A.Reggad Laboratoire de Génie Physique Université Ibn Khaldoun - Tiaret Adresse: BP 144 AL

Re: [Wien] How to use the LIBXC library?

2017-01-18 Thread Abderrahmane Reggad
Thanks Dr gavin for all I still get the old version , I don't know why Best regards -- Mr: A.Reggad Laboratoire de Génie Physique Université Ibn Khaldoun - Tiaret Adresse: BP 144 AL ATTAF AIN DEFLA Tel: +213(0)561861963 Algerie ___ Wien mailing list

Re: [Wien] How to use the LIBXC library?

2017-01-18 Thread Gavin Abo
http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf - When a new WIEN2k version is released, the file at that link gets updated. At least for me, when I enter that link today (January 18, 2017) into my web browser, it is showing me on the cover page: User’s Guide, WIEN2k 16.1

Re: [Wien] How to use the LIBXC library?

2017-01-18 Thread Abderrahmane Reggad
Thank you Dr for your detailed explanation as usual. Now, It becomes clear to me But the link of the userguide is for that of WIEN2k 14.2 version. Best regards -- Mr: A.Reggad Laboratoire de Génie Physique Université Ibn Khaldoun - Tiaret Adresse: BP 144 AL ATTAF AIN DEFLA Tel:

Re: [Wien] How to use the LIBXC library?

2017-01-17 Thread Gavin Abo
The new version of wien2k is arrived but there is no sufficient information on how to use the new library LIBXC implemented Section 7.1.3 on page 112 of the WIEN2k 16.1 usersguide [ http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf ] has: Example for PBE with the - global

[Wien] How to use the LIBXC library?

2017-01-17 Thread Abderrahmane Reggad
Dear wien developpers The new version of wien2k is arrived but there is no sufficient information on how to use the new library LIBXC implemented and how to combine the different functionals for exchange and correlation to get a result close to the experimental one. Best regards -- Mr: