The ABINIT Users Mailing List ( CLOSED )

[Pascal Rausch <rausch@physik.rwth-aachen.de>]

Hi,

recently I created a Ge PAW Potential using the Vanderbilt USPP 
generator. To create this potential I followed Abinit Tutorial. 
Yesterday I wanted to manipulate the density file and export the data 
into the Xcrysden xsf format.


Strangely the xsf file contains "*" on places where numbers should be 
expected.

e.g.:


.34895E-01.21690E-01.88382E-02******************************
********************.88382E-02.21690E-01.34895E-01.46076E-01
.53625E-01.57018E-01.56584E-01.53212E-01.48101E-01.42681E-01
.37733E-01.33492E-01.29987E-01.27190E-01.25068E-01.23582E-01
.22701E-01.22408E-01.22701E-01.23582E-01.25068E-01.27190E-01
.29987E-01.33492E-01.37733E-01.42681E-01.48101E-01.53212E-01
.56584E-01.57018E-01.53625E-01.46076E-01.34895E-01.27926E-01
.15468E-01.43339E-02****************************************
.43339E-02.15468E-01.27926E-01.39436E-01.48079E-01.52884E-01
.53815E-01.51499E-01.46983E-01.41564E-01.36409E-01.31909E-01
.28155E-01.25126E-01.22781E-01.21074E-01.19961E-01.19409E-01
.19409E-01.19961E-01.21074E-01.22781E-01.25126E-01.28155E-01
.31909E-01.36409E-01.41564E-01.46983E-01.51499E-01.53815E-01
.52884E-01.48079E-01.39436E-01.27926E-01.24138E-01.13307E-01
.43339E-02******************************.43339E-02.13307E-01

(My Abinit Version is 4.6.5)


Using the Tutorial PAW potentials e.g. Carbon this did not happen.

Has anybody an idea why this occurs or what to do?



Yours sincerely,


Pascal Rausch