y at the 1st or two first iterations and then disappear.
>>
>> F. Tran
>>
>> On Friday 2016-04-01 15:34, shamik chakrabarti wrote:
>>
>> Date: Fri, 1 Apr 2016 15:34:17
>>> From: shamik chakrabarti
>>> Reply-To: A Mailing list for WIEN2k users <
gt; Date: Fri, 1 Apr 2016 15:34:17
>> From: shamik chakrabarti
>> Reply-To: A Mailing list for WIEN2k users <
>> wien@zeus.theochem.tuwien.ac.at>
>> To: A Mailing list for WIEN2k users
>> Subject: [Wien] Ghost band error in mbj calculation
>>
>>
>
Subject: [Wien] Ghost band error in mbj calculation
Dear wien2k users,
I am trying to run an mbj calculation for a spinel
compound. It shows ghost-band error in its first cycle. However, either in
GGA or GGA+U the same struct file showed no error and calculation converge
Dear wien2k users,
I am trying to run an mbj calculation for a spinel
compound. It shows ghost-band error in its first cycle. However, either in
GGA or GGA+U the same struct file showed no error and calculation converge
smoothly. I have check the case.scf2 file & it shows,
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