ABINIT Discussion Forums

Dear All I am doing a double loop with ndtset 20 udtset 10 2 I want to plot band structure from every second dataset. When I am using AbinitBandStructureMaker, it delivers the error: - WARNING - calculation not completed 0 dataset(s) detected Traceback (most recent call last): File "AbinitBandS...

Thank you Igor for your reply. Now it works well.

Dear all I followed the silicon tutorial, modified it for a monolayer MoS2 and computed its band structure. Now i want to apply strain on monolayer and compute the band structure again as a function of strain. My question is How can i apply strain like 1% strain.? I tried changing the xcart in previ...

Thank you pouillon for your reply. I will try upgrading the compilers.

Can anybody help me.?

Dear all I am trying to install abinit-7.8.2 in a cluster environment. While configuring it, the following error is coming: checking whether to enable OpenMP support... no checking whether to build MPI code... yes checking whether the C compiler supports MPI... no checking whether the C++ compiler s...