Hi,
Input data format for the atom program is quite rigid, you're probably making a small mistake there, such as leaving one more blank space than needed or so ... If you didn't still, try one of the examples and check it works. Then revise your input data for Mo. Best, Roberto On Mon, 5 Dec 2011, Ying chen wrote:
Dear siesta users, I tried to general Mo.psf by myself. When I run pg.sh Mo.inp, it shows that PGFIO-F-231/formatted read/unit=5/error on data conversion. File name = INP formatted, sequential access record = 9 In source file pseudo.f, at line number 55 cp: cannot stat `VPSOUT': No such file or directory cp: cannot stat `VPSFMT': No such file or directory ==> Output data in directory Mo ==> Pseudopotential in Mo.vps and Mo.psf Does anyone know what the problem is? And how to solve this problem? Many thanks Ying
