Jishiben

http://bbs.keinsci.com/thread-16082-1-1.html

AMIX = 0.2

BMIX = 0.0001 #almost zero, but 0 will crash some versions

AMIX MAG = 0.8

BMIX MAG = 0.0001 #almost zero, but 0 will crash some versions

LMAXMIN=4

https://www.jianshu.com/p/f37c1e8a438d

docker build -f Dockerfile.prod_psmp --build-arg GIT_COMMIT_SHA=$(git rev-parse HEAD) -t cp2k_prod_psmp ../../