Dear Giuseppe, Thanks a lot for answering. I include all the correction and I successfully solved for bilayer MoS2 but I'm still having problem with 'vc-relax' calculation for 7 layers MoS2. Attached is the input and output.
Best Regards, Ibrahim Yahaya Muhammad
7-MoS2.in
Description: Binary data
7-MoS2.out
Description: Binary data
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