error No initial positions read in

Message

nguyen · #1 Post by **nguyen** » Mon Nov 25, 2013 7:23 pm

this is my POSCAR

Ni - (111)
3.525
.70710678 .0000000 .000000
-0.35355339 0.6123724 .000000
.000000 .000000 5.7735027
10
selective dynamics
Cartesian
0.00000 0.00000 0.0000 F F F
0.00000 0.40825 0.5773 F F F
0.35355 0.20412 1.1547 F F F
0.00000 0.00000 1.7320 F F F
0.00000 0.40825 2.3094 F F F
0.35355 0.20412 2.8867 T T T
0.00000 0.00000 3.4641 T T T
0.00000 0.40825 4.0414 T T T
0.35355 0.20412 4.6188 T T T
0.00000 0.00000 5.1961 T T T

but Vasp give me No initial positions read in. anyone have a suggestion ?

alex · #2 Post by **alex** » Tue Nov 26, 2013 9:28 am

Selective dynamics works only with direct coordinates.
Is there an empty line before your title?
cheers,
alex

nguyen · #3 Post by **nguyen** » Tue Nov 26, 2013 10:52 am

noline before my title. Selective dynamics work for both Cartesian and Direct? the poscar below is an exemple from the site. it works well for me
fcc (100) surface
3.53
.50000 .50000 .00000
-.50000 .50000 .00000
.00000 .00000 5.00000
5
Selective Dynamics
Kartesisch
.00000 .00000 .00000 F F F
.00000 .50000 .50000 F F F
.00000 .00000 1.00000 F F F
.00000 .50000 1.50000 T T T
.00000 .00000 2.00000 T T T

#4 Post by **admin** » Tue Nov 26, 2013 11:29 am

There is no visible mistake in your input. The problem is caused probably by "cut&paste" which can introduce some special characters in POSCAR and these interrupt the input stream.

nguyen · #5 Post by **nguyen** » Tue Nov 26, 2013 12:17 pm

thanks you 2.
opened with p4vasp, save without changing and it works.
probably cut & paste problems

alex · #6 Post by **alex** » Tue Nov 26, 2013 1:01 pm

I've also learned my lesson. Thanks! alex