/home/anuradha/Desktop/boltztrap-1.2.5/src/BoltzTraP x_trans BoltzTraP
================ BoltzTraP vs 1.2.5 =============
At line 30 of file gtfnam.F90
Fortran runtime error: Bad integer for item 1 in list input
please help me with this?
This document might be helpful
https://wiki.rc.usf.edu/index.php/BoltzTraP
did you get the answer?
Please check whether all the symmetries in your crystal are being reproduced in the scf and nscf files correctly.
This, at times happens when the atomic coordinates are not entered very accurately (i.e. up to six decimals).
material becomes p-type from n-type as the pressure is increased.
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Excessive rotation of nodes in node set ErrNodeExcessRotation-Step1
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--> FOAM FATAL ERROR: Maximum number of iterations exceeded From function Foam::scalar Foam::species::thermo::T(Foam::scalar, Foam::scalar, Foam::scalar, Foam::scalar (Foam::species::thermo::*)(Foam::scalar, Foam::scalar) const, Foam::scalar (Foam::species::thermo::*)(Foam::scalar, Foam::scalar) const, Foam::scalar (Foam::species::thermo::*)(Foam::scalar) const) const [with Thermo = Foam::hConstThermo >; Type = Foam::sensibleEnthalpy; Foam::scalar = double; Foam::species::thermo = Foam::species::thermo >, Foam::sensibleEnthalpy>] in file /home/ubuntu/OpenFOAM/OpenFOAM-4.1/src/thermophysicalModels/specie/lnInclude/thermoI.H at line 66. FOAM aborting #0 Foam::error::printStack(Foam::Ostream&) at ??:? #1 Foam::error::abort() at ??:? #2 Foam::heRhoThermo >, Foam::sensibleEnthalpy> > > >::calculate() at ??:? #3 Foam::heRhoThermo >, Foam::sensibleEnthalpy> > > >::correct() at ??:? #4 ? at ??:? #5 __libc_start_main in "/lib/x86_64-linux-gnu/libc.so.6" #6 ? at ??:?
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