bipul,
Maybe, this is a mistake in the User guide. For SIESTA 2.0 the correct syntax is
MD.UseStructFile true
regards,
Yurko
On 26/10/2007, bipul rakshit [EMAIL PROTECTED] wrote:
hello siesta user,
I use supercell block to generate supercells in fdf file and then i use
UseStructFile .true.
hello siesta user,
I use supercell block to generate supercells in fdf file and then i use
UseStructFile .true.
in order to make siesta to read the co-ordinates from file.STRUCT_IN
but every time the siesta gives me an error
you have to specify atomic co-ordinates
But when i use
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