[Wien] Fwd: Error in lapwdm in GGA+U approach‏

2016-04-13 Thread mitra narimani
-- Forwarded message -- From: mitra narimani Date: 2016-04-13 13:02 GMT+04:30 Subject: Fwd: Error in lapwdm in GGA+U approach‏ To: ‫wien@zeus.theochem.tuwien.ac.at‬ -- Forwarded message -- Subject: Error in lapwdm in GGA+U approach‏ To:

[Wien] Fwd: Error in lapwdm in GGA+U approach‏

2016-04-13 Thread mitra narimani
-- Forwarded message -- From: mitra narimani Date: 2016-04-13 12:54 GMT+04:30 Subject: Fwd: Error in lapwdm in GGA+U approach‏ To: ‫wien@zeus.theochem.tuwien.ac.at‬ Subject: Error in lapwdm in GGA+U approach‏ To: ‫wien@zeus.theochem.tuwien.ac.at‬ and

[Wien] Fwd: Error in lapwdm in GGA+U approach‏

2016-04-13 Thread mitra narimani
Subject: Error in lapwdm in GGA+U approach‏ To: ‫wien@zeus.theochem.tuwien.ac.at‬ Dear Gavin abo Thank you for your reply I run my calculations with version 13.1 of wien2k and RmtKmax= 8.5, Gmax=12.5, k-point=350. Please guid me about any change in files. My case. inso is: WFFIL 4 0 0