[CPMD-list] Anybody recognizes this PP format?
Rafael R. Pappalardo
rafapa at us.es
Wed May 21 09:01:46 CEST 2008
Dear CPMD users,
I have found a web page
https://www.fsis.iis.u-tokyo.ac.jp/apps/result/software/nanoscal/periodic.jsp
where there is a periodic table with some pseudopotentials developed using the
CIAO program and intended to be used by the program PHASE (a pwpp code).
Unfortunately I am unable to read the manuals because they are written in
japanese.
I wonder if anybody recognizes the format of the pseudopotential file and can
tell me if they can be used with CPMD.
The beginning of the Oxygen PP is:
8 6 3 0 2 : zatom, ival, iloc, itpcc
ggapbe : name
18.090000 7.190000 1.422400 -0.422400 : alp,cc
1501 96.000000 60.000000 : nmesh, xh, rmax
VALL
-0.81478944407130350E+06 -0.80635996491120030E+06 -0.79801806286726760E+06
-0.78976283266783910E+06 -0.78146961636149080E+06 -0.77351623214723670E+06
-0.76549811907538170E+06 -0.75758083922418270E+06 -0.74974464634600960E+06
Thanks for the help.
Rafael
--
Dr. Rafael R. Pappalardo
Dept. Physical Chemistry, Univ. de Sevilla (Spain)
e-mail: rafapa at us.es
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