[Wien] charge fluctuation
Seyyed Amir Abbas Emami
a.a.emami at birjand.ac.ir
Sat Jul 4 18:40:03 CEST 2015
Now i have another question. What about if i suppose to change for example RKmax or k-point or other parameter. I mean what is the procedure for running clmextrapol_lapw. Is the following sequence correct?
1- First i run the program with lattice parameter 6.08 or 6.98
2- save_lapw -d xxx
3- x dstart -super
x dstart -super -up
x dstart -super -dn
4- changing struct file (lattice parameter)
5- clmextrapol_lapw
clmextrapol_lapw -up
clmextrapol_lapw -dn
6-intial_lapw
7- runsp_lapw
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