[Wien] supercell structure under pressure

[kongshi]

Dear WIEN2k users:
         Recently I'm calculating the f-electron material under pressure with LDA+U.  There are different results between with normal structure file and with supercell structure file. The result of normal structure file with symmetry under pressure is metal.  But the supercell structure under pressure result is insulator.  The result of spuercell structure file in atmospheric pressure is metal. In my opinion the pressure drive the material to the metal state.
         Can anybody tell me what the problem is? Thank you in advance.


shi kong





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