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II. Features of lm-7.0betaK

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The package lm-7.0betaK have some difference from lm-7.0beta.

Simplified installation. 編集

You only need to write in its root directory (usually just need to copy a file from MAKEINC/ and edit it), which is used from some of Makefile. No configure is required. All are with relative path, so it works even when you move whole lm-7.0betaK/ directory to anywhere you like. There is a simple shell script to identify Machine-dependence.

No C compiler. Fortran-only. 編集

C files in slatsm (fsubs.c and fmain.f) are replaced with the fortran files. This removed troubles in Fortran-C mixing.

We concentrate on the full-potential part and the GW driver part. 編集

The other packages are not included (but source codes required for asa, nc, tb are included for references). All required files are in the package. slatsm/ (math library) and fplot/ (plotting tools) are included.

cpp instead of ccomp. 編集

We now use -cpp instead of ccomp.

Other minor changes. * allow us to write shell script at the beging of ctrl file. See TEST_samples/Li_lattice/ 編集

A few other differences. OVNCUT option is added. To see input, "lmf --input". I use zhev_tk in slatsm/zhev.f (called from fp/bndfp.f) for diagonarization. This option OVNCUT (and also OVEPS) are for test purpose, so only for non-MPI versions. The default basis set file mtopara.* is generated by lmf (explained in tutorials).