hello siesta users, can any body tell me what is the exact way of using the gen basis programme. here i am sending the Sn.psf and Sn.fdf file I use the script as follows: i am in the directory of Sn sh ../gen-basis.sh Sn.fdf Sn.psf and then i got the following error ../gen-basis.sh[46]: ../../../../Src/gen-basis: not found. ==> Calculation completed for Sn The files necessary to plot the Basis information for Sn are now in directory Sn. You can use the Gnuplot scripts to visualize the PAOs, KB projectors, and other interesting functions. *** (Be sure to use gnuplot -persist if using X *** For postscript output, use the .gps files mv: cannot stat `ORB.S?.?.Sn': A file or directory in the path name does not exist. mv: cannot stat `KB.L?.?.Sn': A file or directory in the path name does not exist. mv: cannot stat `CHLOCAL.Sn': A file or directory in the path name does not exist. mv: cannot stat `RED_VLOCAL.Sn': A file or directory in the path name does not exist. mv: cannot stat `VNA.Sn': A file or directory in the path name does not exist.
plz help me in this regard --------------------------------- Heres a new way to find what you're looking for - Yahoo! Answers
Sn.fdf
Description: 4081131485-Sn.fdf
Sn ca rel nc ATM 3.2.2 3-JAN-07 Troullier-Martins 5s 2.00r r= 2.59/5p 2.00r r= 2.43/5d 0.00r r= 2.59/4f 0.00r r= 2.49/ 4 3 1175 0.495750435333E-04 0.125000000000E-01 4.00000000000 Radial grid follows 0.623577282709E-06 0.125499820205E-05 0.189436141883E-05 0.254176683484E-05 0.319731560851E-05 0.386111017066E-05 0.453325424055E-05 0.521385284204E-05 0.590301232006E-05 0.660084035718E-05 0.730744599045E-05 0.802293962844E-05 0.874743306848E-05 0.948103951414E-05 0.102238735929E-04 0.109760513742E-04 0.117376903872E-04 0.125089096397E-04 0.132898296361E-04 0.140805723969E-04 0.148812614771E-04 0.156920219862E-04 0.165129806070E-04 0.173442656161E-04 0.181860069034E-04 0.190383359926E-04 0.199013860620E-04 0.207752919649E-04 0.216601902508E-04 0.225562191870E-04 0.234635187797E-04 0.243822307963E-04 0.253124987876E-04 0.262544681096E-04 0.272082859472E-04 0.281741013362E-04 0.291520651873E-04 0.301423303092E-04 0.311450514331E-04 0.321603852360E-04 0.331884903659E-04 0.342295274664E-04 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