Dear everyone,
My first question is: where can I get the celebrated Simplex script for
basis set optimization?
And the second is about the partial core correction in the pseodupotentials.
The other day I used the web interface to Atom by the Octopus team. They
offer two options for the pcc,
hello,
i am installating siesta in AIX machine of ENEA (in italy). when i use -q64
option in the flag, then the following error comes..
ar: 0707-126 mpi.o is not valid with the current object file mode.
Use the -X option to specify the desired object mode.
ar: 0707-126
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