[Wien] running wien2k as pure scripts
Ilias Miroslav, doc. RNDr., PhD.
miroslav.ilias at umb.sk
Tue Jul 28 21:25:09 CEST 2020
Hello,
I appreciate the web interface for wien2k.
However, I would like to use pure online commands, without manually entering any data into web interface.
I tried this sequence of commands below (extracted from web interface with the TiC example), but without success.
inp=TiC.struct
instgen_lapw < $inp
x -d nn
x sgroup
x symmetry
instgen_lapw -s -up
#kgen 30 1
x -d kgen
dstart
run_lapw -ec 0.0001 -NI
Any help, please ?
Miro
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