After adding natorb=6 in orb file still shows same error.
1 6 0 nmod, natorb, ipr
PRATT 1.0BROYD/PRATT, mixing
5 1 2 iatom nlorb, lorb
6 1 2 iatom nlorb, lorb
7 1 2 iatom
On 17.06.2015 10:55, vishal jain wrote:
10 nsic 0..AMF, 1..SIC, 2..HFM
Why there is now this number 10?
lapw1c 004418B1 inilpw_ 280 inilpw.f
forrtl: severe (59): list-directed I/O syntax error, unit 7, file
Dear All,
i found error during GGA+U Calculation for 2D structure of
Co2CrAl/GaAs.Struct, orb and indmc files attached here. What is the needed
procedure for GGA +U calculation for 2D structure? is same as bulk.
stop error
lapw1c 00403F79 Unknown Unknown
It looks like natorb in the inorb file should be 6, but it is 2.
On 6/16/2015 10:24 PM, vishal jain wrote:
Dear All,
i found error during GGA+U Calculation for 2D structure of
Co2CrAl/GaAs.Struct, orb and indmc files attached here. What is the
needed procedure for GGA +U calculation for 2D
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