Dear Prof. Blaha
In the wien2k userguide, we are told that the total or exchange-correlation
potential file can be generated by lapw0.
Today I check all results of my calculations (many cases), there are empty in
case.vcoul, case.r2v and case. vtotal files. So I can not use lapw5 to get
Did you change NR2V to R2V in case.in0?
On 12/19/2012 6:22 PM, liujuan804 at sina.com wrote:
Dear Prof. Blaha
In the wien2k userguide, we are told that the total or
exchange-correlation potential file can be generated by lapw0.
Today I check all results of my calculations (many cases),
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