[Wien] How to set the value of EMIN in case.in2 when calculatingthe electron density plots?

[Stefaan Cottenier]

>      Thank you very much.I have another problem to ask you for your
> help. If I want to calculate the electron densities of the specified 
> plane merely,for example (100) of TiC,how to do that?

Dear Z.J.,

This is exactly what the density plotting program does... and you 
should have known if you would have read the introductory sections of 
the usersguide (Quick Start). Please, don't overuse this mailing list 
and follow the nettiquette that you can find at 
http://www.wien2k.at/reg_user/mailing_list/ and that is pasted below 
for your convenience. Moreover, I think most of us would like to know 
to which real person 'Z.J.' corresponds -- it is too easy to hide 
behind initials and ask anonymously help for every single problem you 
encounter.

Stefaan

--------------------------------------


Please follow the following "Nettiquette" (depending on your question, 
at least some of these points should be included in your mail): 

* I am running wien version xxx on a machine of type yyy with 
operating system zzz, fortran compiler aaa and math libraries bbb. 
* The purpose of my calculations is to get quantity ccc. 
* I am running this case (case.struct) using this input (here, 
case.in1 may be relevant? Certainly give things like XC potential, 
rkmax, size of k-mesh) and these commands (eg. : run_lapw -p -so from 
command line, or w2web). 
* The program stops at this point, or produces suspicious output 
here ... This is the content of the error file / the case.dayfile / 
STDOUT. This is the bottom of the output file (like the part of 
case.output1 you show below). 
* I have already tried the following things (bla bla bla) and they did 
or did not work, did or did not make any difference. 

You should also obey the following points: 

* Yes, I have SEARCHED the archives AND READ THE USERS GUIDE and the 
FAQ pages, but I couldn't solve my problem that way. 
* If suggestions from the mailing list actually solved your problem 
(or you solved it some other way), would you please share that with 
us? 



Disclaimer: http://www.kuleuven.be/cwis/email_disclaimer.htm