Open your output file from quantum espresso with the XCrySDen software which is a crystalline and molecular structure visualizer. Export your structure to .xsf format. Open the .xsf file with the VESTA software which is a 3D visualization program for structural models (note: VESTA can not read ...
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AOCL-libFLAME (LAPACK), AOCL-FFTW and other libs.https://developer.amd.com/amd-aocl/This is not necessary when using Spacksince it is able to pull these AOCL libs as dependencies without having a local install. I will not include it in the container...
AOCL-libFLAME (LAPACK), AOCL-FFTW and other libs.https://developer.amd.com/amd-aocl/This is not necessary when using Spacksince it is able to pull these AOCL libs as dependencies without having a local install. I will not include it in the container...