[Wien] cholesky INFO error in Mn doped Bi supercell calculation

2011-02-10 Thread shamik chakrabarti
, Shamik Chakrabarti On Thu, Feb 10, 2011 at 2:10 AM, shamik chakrabarti shamikphy at gmail.comwrote: -- Forwarded message -- From: Laurence Marks L-marks at northwestern.edu Date: 2011/2/10 Subject: Re: [Wien] cholesky INFO error in Mn doped Bi supercell calculation

[Wien] cholesky INFO error in Mn doped Bi supercell calculation

2011-02-10 Thread Stefaan Cottenier
*The link posted by you is not opening*. Alternatively, go to http://www.wien2k.at/reg_user/index.html and put 'cholesky' in the mailing list search box that appears there (it may take 15 minutes to display the result). Stefaan

[Wien] cholesky INFO error in Mn doped Bi supercell calculation

2011-02-10 Thread Rocquefelte
Dear Stefaan, In fact it can be faster if you apply a curious recipe I found a day I was not happy to wait ... 1- You put your keywords cholesky 2- A new window appears 3- you wait 1 minute or less and you press enter one more time on the window containing your keywords and then the results

[Wien] cholesky INFO error in Mn doped Bi supercell calculation

2011-02-09 Thread shamik chakrabarti
Dear wien2k users, We are running a calculation for Mn doped Bi supercell. There are total 24 atoms in the cell in which two are Mn atoms. When we started SCF calculation it has stopped after 8th iteration showing error in lapw1. After opening the lapw1.error file we

[Wien] cholesky INFO error in Mn doped Bi supercell calculation

2011-02-09 Thread Laurence Marks
Please use http://zeus.theochem.tuwien.ac.at/cgi-bin/wien2k_mailing_search.pl and enter cholesky -- you will see explanations. 2011/2/9 shamik chakrabarti shamikphy at gmail.com Dear wien2k users, We are running a calculation for Mn doped Bi supercell. There are