[Wien] wien2k_12 setup settings

Dear wien2k users , I am one of the newest users so I have many problems about the program. Many times I have tried to set up it but I got error messages in every trying. The biggest problem that I have is this : *** * Changing compiler options *

Re: [Wien] wien2k_12 setup settings

I don't see what the problem should be, There are indeed directories that do not contain a Makefile.orig because it is not needed in that directory. Do you have any errors when compiling the programs ? Ciao Gerhard DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy: I think the

[Wien] problem with Onsite-exact-exchange.

Hi, I have done a calculation using Onsite-exact-exchange (-eece) only on the 3d of iron (in material : Fe1/4NbSe2) with soc . My calculation is converged and give a good result ,but when try to analyse the dos with : x lapw2 -up -so -eece -qtl I have this error : WARNING: EF not accurate,

Re: [Wien] problem with Onsite-exact-exchange.

http://zeus.theochem.tuwien.ac.at/pipermail/wien/2014-August/021555.html On Sat, 30 Aug 2014, Hemza Kouarta wrote:  Hi, I have done a calculation using Onsite-exact-exchange (-eece) only on the 3d of iron (in material : Fe1/4NbSe2) with soc . My calculation is converged and give a good result

[Wien] hi

Prof. Dr : Baaziz Hakim Physics Department , University of  M’sila B.P 166 Route ICHBILLIA 28000 M'Sila Algeria Tel : 213 35 54 17 26  - Mobil : 213 771525993 ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at

Re: [Wien] how to remedy LAPW2: semicore band-ranges too large?

See: http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg10561.html On 8/30/2014 9:14 PM, Bing Zhou wrote: Dear all, The run_lapw failed with the following error message as: LAPW2: semicore band-ranges too large (standard_in) 1: syntax error (standard_in) 1: syntax error