[Wien] What is changed in WIEN2k_8.1?

2008-02-15 Thread Hamid Abbaszadeh Peivasti
:598 2 9241906 > Web: http://cryssmat.fq.edu.uy/ricardo/ricardo.htm > > - Original Message - > *From:* Hamid Abbaszadeh Peivasti > *To:* wien at zeus.theochem.tuwien.ac.at > *Sent:* Friday, February 15, 2008 3:54 PM > *Subject:* [Wien] What is changed in WIEN2k_8.1

[Wien] What is changed in WIEN2k_8.1?

2008-02-15 Thread Hamid Abbaszadeh Peivasti
Dear WIEN2k developer; I used WIEN2k from version 5 to last version 8.1. I use LSDA+U for my calculation. In previous version, everything was good and we have reasonable results but in this new version, everything is wrong. What's the matter? I have check all parameter from structure, exchange fu

[Wien] What is changed in WIEN2k_8.1?

2008-02-15 Thread Ricardo Faccio
o: wien at zeus.theochem.tuwien.ac.at Sent: Friday, February 15, 2008 3:54 PM Subject: [Wien] What is changed in WIEN2k_8.1? Dear WIEN2k developer; I used WIEN2k from version 5 to last version 8.1. I use LSDA+U for my calculation. In previous version, everything was good and we have reasonable results but i