Tieyuan BIAN

Results 8 comments of Tieyuan BIAN

Hi, Have you solved the problem yet? I met the same issue.

Sorry, it should be after `./install_cp2k_toolchain.sh --with-sirius=no --with-openmpi=install --with-plumed=install` and then I followed instruction, finally ` make -j 48 ARCH=local VERSION="ssmp sdbg psmp pdbg"`, then showed the error above.

Hi, sorry for my late respones, here is my output: ```(base) [s22117712r@apollo cp2k-2023.1]$ make -j 48 ARCH=local VERSION="ssmp psmp" Discovering programs ... make -C /home/s22117712r/cp2k-2023.1/exts/dbcsr -f /home/s22117712r/cp2k-2023.1/exts/build_dbcsr/Makefile \ ARCHFILE=/home/s22117712r/cp2k-2023.1/arch/local.ssmp \...

It seems like my KPOINTS is not suitable for plotting spin texture: ``` Kpoints 50 line Reciprocal 0.5 0.0 0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.0 0.0...

Well , after I revised KPOINTS using pyprocar.generate2Dkmesh. Same error occured. Hope developers can help me.

Hi, Thanks for your reply. I realized my issue and recalculated with new KPOINTS which is a full grid. However, it made same error. I noticed in error message the...

> The used grid interval is the one you used in your KPOINTS… if you still have problems after, please provide more details because it is hard to see where...

Problem solved, translate and rotation is the cause. Here is my original POSCAR, which I have to rotate to plot x-z plane spin texture: ``` n4-single 1.00000000000000 8.9273996353000005 0.0000000000000000 0.0000000000000000...