[Wien] error in Xdstar
Saeid Jalali
s_jalali_a at yahoo.com
Fri Apr 14 10:01:07 CEST 2006
I know this is too late, but I hope to be kindly excused the delay on not responding earlier.
> There were four error files(dstar.error, Lapw0.error, Lapw1.error and Lapw2.error) I check them and all of them were empty.
After a successful cycle of the scf, two other empty error files of lcore and mixer programs also at least must be existed.
>You mean by saying "there is no definite error" that I can ignore the errors and also my data that I have got is true.
Simple answer is: yes the empty errors do not show errors in your calculations. However, I cannot within this given information confirm that all your data are physically correct.
Sincerely yours
S. Jalali.
On 4/5/06, Saeid Jalali <s_jalali_a at yahoo.com> wrote:
You would look at the sizes of the error files using the lse command. If the error files are empty, there is no a definite error in your calculations.
Your,
S. Jalali
Amin Babazadeh <babazade at gmail.com > wrote:
Dear Dr.
I am running wien2k_03 on a Pentium 4 computer.I didn't used fortran compiler in installation time but after installation of wien2k I run hydrogen case with simple cubic structure and the software did it successfully without any problem.But when I did another case (Li,simple cubic structure), wien2k run successfully until I arrived to Xdstar initialization in this part wien2k run without any problem(It means that it didn't show any error) but when i looked to file that had been saved there was a file with this name ( xdstar.error) and now I don't know if my data that I have gotten is true or not?
I will appreciate if you help me.
sincerely yours
--
AMIN
Sincerely yours,
S. Jalali.
/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/
Saeid Jalali Asadabadi,
Department of Physics, Faculty of Science,
University of Isfahan (UI), Hezar Gerib Avenue,
81744 Isfahan, Iran.
Phones:
Dep. of Phys. :+98-0311-793 2435
Office :+98-0311-793 2430
Fax No. :+98-0311-793 2409
E-mail :s_jalali_a at yahoo.com
www :http://www.ui.ac.ir
/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/
---------------------------------
Love cheap thrills? Enjoy PC-to-Phone calls to 30+ countries for just 2¢/min with Yahoo! Messenger with Voice.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20060414/4d4fc07d/attachment.html
More information about the Wien
mailing list