[RMCProfile-users] swap on RMCProfile

[Kazutaka IKEDA]

Dear Dr. Yuanpeng Zhang,

I want to use swap on RMCProfile V6.7.6 or V6.7.9, so I added the following three lines to the .dat file, but it doesn't work.

SWAP ::
   > SWAP ATOMS :: atom1 atom2
   > SWAP PROBABILITY :: 0.5

The RMCPforile works without the above lines.
Please tell me where I am going wrong.

Best regards,

Kazutaka IKEDA

Institute of Materials Structure Science,
High Energy Accelerator Research Organization (KEK)
203-1 Shirakata, Tokai-mura, Naka-gun, Ibaraki, 319-1106 Japan
tel: +81-29-284-4639
e-mail: kikeda at post.j-parc.jp