how to plot bandstrcutures along symetries directions
Posted: Fri Dec 08, 2006 6:00 am
Hi, i am a new Vasp user i read the arlesv Thread and i have the same problem i am using vasp4.5 VASP version and i would want to know how can i plot the band structures along the simetryes directions whit this VASP version, the same as arlesv i use a kpoints file which looks like
kpoints for bandstructure L-G-X-U K-G
10
line
reciprocal
0.50000 0.50000 0.50000 1
0.00000 0.00000 0.00000 1
0.00000 0.00000 0.00000 1
0.00000 0.50000 0.50000 1
0.00000 0.50000 0.50000 1
0.25000 0.62500 0.62500 1
0.37500 0.7500 0.37500 1
0.00000 0.00000 0.00000 1
what could be the changes i should made for achive this thread whit VASP 4.5 version, anyone who could help me i will be very thankful
thanks !!!
kpoints for bandstructure L-G-X-U K-G
10
line
reciprocal
0.50000 0.50000 0.50000 1
0.00000 0.00000 0.00000 1
0.00000 0.00000 0.00000 1
0.00000 0.50000 0.50000 1
0.00000 0.50000 0.50000 1
0.25000 0.62500 0.62500 1
0.37500 0.7500 0.37500 1
0.00000 0.00000 0.00000 1
what could be the changes i should made for achive this thread whit VASP 4.5 version, anyone who could help me i will be very thankful
thanks !!!