Hello ; I am running wien version?11 on a machine of type?dell N5010?, fortran
compiler?pgf and math libraries gcc. I'm working on a spinel structure
CuCrZrSe4 I solved the problem of R0 and RMT but now?I have a problem with it
lapwup1as follows:
Error in LAPW1
? SELECT - no energy limits found for L = 0
? SELECT - E-bottom-top E -200.00000 -200.00000
and scfup1 file is as follows:
???? ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Cu1
: e__0001: OVERALL ENERGY PARAMETER IS 1.1000
?????????? OVERALL BASIS IS SET ON ATOM Lapwai
: E1_0001: E (1) = 1.1000
????????????? APW + lo
: E1_0001: E (1) = -4.1555 E (BOTTOM) = 7109 E (TOP) = 1202
????????????? LOCAL ORBITAL
So please how to solve this problem and thank you in advance
cordially mouna Mesbahi
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