File: H2O.eigen

package info (click to toggle)
espresso 6.7-4
  • links: PTS, VCS
  • area: main
  • in suites: forky, sid
  • size: 311,068 kB
  • sloc: f90: 447,429; ansic: 52,566; sh: 40,631; xml: 37,561; tcl: 20,077; lisp: 5,923; makefile: 4,503; python: 4,379; perl: 1,219; cpp: 761; fortran: 618; java: 568; awk: 128
file content (6 lines) | stat: -rw-r--r-- 598 bytes parent folder | download | duplicates (3) 
1
2
3
4
5
6
 
#       Energy(Ry)            Total                 X                  Y                   Z
      0.52434281E+00      0.39389223E-02      0.21234087E-12      0.86302172E-14      0.39389223E-02
      0.55451703E+00      0.90872773E-10      0.78728988E-12      0.15658369E-17      0.90085482E-10
      0.42910513E+00      0.41743381E-01      0.37163857E-12      0.20931799E-12      0.41743381E-01
      0.57210566E+00      0.25697680E-02      0.35544804E-11      0.38555622E-10      0.25697679E-02
      0.57859756E+00      0.18298479E-03      0.51808513E-12      0.18292074E-03      0.64046567E-07