Dear Wien2k users,
I have started to simulate the total energy of a
structure (file attached) & obtain an error at the 2nd cycle as below;Error in LAPW2 'LAPW2' - semicore band-ranges too large, ghostbands ? Any response is eagerly awaited. with regards -- Dr. Shamik Chakrabarti Research Fellow Department of Physics Indian Institute of Technology Patna Bihta-801103 Patna Bihar, India
G_221_12_1Li_E.struct
Description: Binary data
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