im Auftrag von Krishnaveni. S
[sarathyv...@gmail.com]
Gesendet: Montag, 28. September 2015 18:45
An: wien@zeus.theochem.tuwien.ac.at
Betreff: [Wien] afm calculation - error in LAPW1 - during SCF cycle of AFM
Calculation
Dear wein 2k users,
Greetings.
I have been working on full heusler alloys.
28.09.2015 19:45, Krishnaveni. S wrote:
Error in LAPW1
'SELECT' - no energy limits found for atom 1 L= 1
'SELECT' - E-bottom -5.18127 E-top -200.0
Can some one suggest what I should be doing in this case please?
You should make a search in the mailing archive of WIEN2k with the
Dear wein 2k users,
Greetings.
I have been working on full heusler alloys. I have performed optimization
calculation for a compound in non magnetic and in spin polarisation (FM
state). I
I also wanted to perform AFM calculation. With the help of the user guide
and with some mail threads in the
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