[Wien] help required

arqum hashmi arqumhashmi at yahoo.com
Thu Mar 22 02:23:50 CET 2012


Dear Wien2k users,

i calculated oxide material surface calculation with 50 atoms in unit cell. Now i want to calculate it with LDA+U and this requires two files case.indm, case.inorb. 

In file case.inorb, i put the value of U and keep allo ther values as default.
In file case.indm, i keep all values as default.

can i get the correct results with this or not???????or please give me any suggestion about this.
i will be very thankful to you


Thanks and Regards

Arqum Hashmi
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