Dear Siesta users, I enabled siesta to write out .WFSX with options ... COOP.Write T WFS.EnergyMax -1.0 eV WFS.EnergyMin -6.0 eV ...
It produced systemlabel.WFSX file correctly. But when I copied this file to WFSX under Util/WFS directory and run wfsx2wfs. I got error: $:~/wavefunction/e3<jingbli@:~/MolecularDynamics/TiO2/TiO2_slab/CellOptimize_LDAU/wavefunction/e3>> ./wfsx2wfs forrtl: File exists forrtl: severe (10): cannot overwrite existing file, unit 11, file xxxx Image PC Routine Line Source wfsx2wfs 000000000045AA96 Unknown Unknown Unknown wfsx2wfs 0000000000459C96 Unknown Unknown Unknown wfsx2wfs 00000000004251AE Unknown Unknown Unknown wfsx2wfs 0000000000406F7A Unknown Unknown Unknown wfsx2wfs 0000000000406596 Unknown Unknown Unknown .... Has anybody run into the same problem? Could you please share how to fix it? I am using LDA+U version of Siesta and for Util I am using siesta 3.0 Thanks,
