CAMP Atami is a program for an ab initio molecular dynamics, employing the algorithm suggested by R. Car and M. Parrinello (Phys Rev. Lett. 55, 2417, 1985 and NATO ASI SerB 186, 455, 1989). CAMP is a rather straightforward implementation of their algorithm.

Their algorithm is based on norm conserving pseudo potential band calculations. Pseudo-potential parameters of Bachelet-Hamann-Schluter (Phys. Rev. B 26, 4199, 1982). are used in this program. Basis functions are plane waves only and a cyclic boundary conditions are imposed.

The program first relaxes electrons to SCF state. Then, it begins MD steps according to calculated Faynmann forces. In MD steps, geometries of atoms and electronic structures are relaxed at the same time. So, you can perform ab initio MD calculations within pseudo potential frame work.

Atoms are moved actually on a CP potential surface, however you can be close to BO potential surface by selecting time slices and a fictitious mass of electron.

The Car-Parrinello algorithm is very lighter than MO based ab initio MD methods by tens of magnitude. However it still needs huge computer resources, CPU speed and memories. It is impossible to perform *meaningful* MD calculations on currently available computers, even if they are massively parallel computers. But it can be used for simulated annealing calculations to get to unknown grand state geometries of your target at certain conditions.

These values are obtained from the program at each time step.

1. electronic eigen values
2. total energy and its sources (kinetic energy, hartree, exchange-correlation ...)
3. geometry (coordinates of each atom)
4. velocity

Programing Language is FORTRAN77.
It is working on various UNIX machines, SUN, IRIS, NEWS, IBM, TITAN, HP, ALLIANT, CRAY, SX etc.

CAMP was first developed for our (members of CAMM Forum) internal use. However we decided to open the code for anyone who is interested in it.

We selected JCPE as a distributer of the CAMP and *donated* the code to it. JCPE is a Japanese Institute for program exchange like QCPE. They are working at voluntary bases also.

Please contact to JCPE to obtain CAMP.

        Program No.:  P089
        Program Name: CAMP Atami (ver.1.0)
        Medium :      3.5" 2DD MS-DOS format
                      (tar + compress + uuencoded)
        Fee :         2,500 yen. Including (Japanese) Manual.
                      (about $25, 100 yen is approximately $1.)

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