If the program hangs in lapw2, the program before lapw2 should be
checked, i.e. scf1(up/dn) files should be examined. Are there reasonable
eigenvalues ? Are the energy parameters reasonable ?
To get an idea how far lapw2 comes:
Edit uplapw2.def and change unit 6 to 66.
Then run: lapw2
.
K.S Sharma
The IIS University
kssrajindia at yahoo.co.in
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Dear Prof. Kroeker,
Right before the line 47, where the problem is there, I let be printed
values of the rho,tauw,grho,g2rho, tau_falsch quantities, as follows:
print*,'int:rho,tauw,grho,g2rho',rho,tau,grho,g2rho,'tauwrong=',tau_falsch
if(tau.eq.tauw .and.
why don't you give numbers but NX or NX1 in youre .inso file ?
Ciao
Gerhard
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
Von: wien-bounces at
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