Messages by Thread
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[Wien] help
naincy Pandit
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[Wien] confusion regarding band structure of Graphene
shamik chakrabarti
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[Wien] Regarding lattice constant missing in volume optimization curve data and also in output file of tetragonal lattice
Bhanu Prakash
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[Wien] Magnetooptics: possible bug
Igor I Mazin
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[Wien] Question about TiC / -ec and -cc
Hülya Gürçay
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[Wien] Increment of K-points for having smooth DOS in HSE06 calculations
shamik chakrabarti
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[Wien] QTL quantization axis for Y_lm orbitals
pluto via Wien
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[Wien] Cannot open module file ‘fftpack.mod’
shamik chakrabarti
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[Wien] AMD and oneapi for wien2k
Hemza
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[Wien] mixer crash
Karel Vyborny
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[Wien] /tmp/sh.XXYCoXH9: Not a directory.
shamik chakrabarti
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[Wien] Automatic running of -bash in the terminal
shamik chakrabarti
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[Wien] Error during compilation
shamik chakrabarti
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[Wien] parallel case.vector and qtl
Tim Williams via Wien
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[Wien] Error while running elastic calculations
413119008
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[Wien] Bug in QTL WIEN2k 21.1
Aleksandar Razpopov
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[Wien] Error in parabolfit_lapw for 4D optimization of monoclinic structure
ma.azadparvar
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[Wien] Semicore band ranges too large
shamik chakrabarti
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[Wien] HF with HDLO?
Mikhail Nestoklon via Wien
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[Wien] Problems of calculating the effective U and setting shift during the supercell procedure
晨晨 via Wien
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[Wien] ,IRelast: incorrect structure for e=0.3 in C44 for TiO2
Peter Blaha
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Re: [Wien] ,IRelast: incorrect structure for e=0.3 in C44 for TiO2
Park, Ken
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Re: [Wien] ,IRelast: incorrect structure for e=0.3 in C44 for TiO2
Park, Ken
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Re: [Wien] ,IRelast: incorrect structure for e=0.3 in C44 for TiO2
Morteza Jamal via Wien
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Re: [Wien] ,IRelast: incorrect structure for e=0.3 in C44 for TiO2
Park, Ken
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Re: [Wien] ,IRelast: incorrect structure for e=0.3 in C44 for TiO2
Morteza Jamal via Wien
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Re: [Wien] ,IRelast: incorrect structure for e=0.3 in C44 for TiO2
Morteza Jamal via Wien
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Re: [Wien] ,IRelast: incorrect structure for e=0.3 in C44 for TiO2
Park, Ken
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Re: [Wien] ,IRelast: incorrect structure for e=0.3 in C44 for TiO2
Morteza Jamal via Wien
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Re: [Wien] ,IRelast: incorrect structure for e=0.3 in C44 for TiO2
Park, Ken
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[Wien] [SPAM?] Bandstructure calc. with polarization and SO
pboulet
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[Wien] Calculate the allowed volume of Emails
reyhaneh ebrahimi
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[Wien] About increment of K-points after convergence achieved with less no. of K points
shamik chakrabarti
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[Wien] Bader charge
leila mollabashi
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[Wien] error in runfsm_lapw: vresp: Undefined variable.
Dr . KISHOR KUMAR डॉ . किशोर कुमार
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[Wien] Spin-polarized state not really spin-polarized
pboulet
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[Wien] Number of orbitals in spin-polarized hybrid calculation
pboulet
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[Wien] ELF
reyhaneh ebrahimi
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[Wien] Optical properties
Chukwuemeka Okoye
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[Wien] Fwd: Survey on the use of simulation codes
pblaha
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[Wien] Clarification on Magnetic Anisotropy Energy calculations
Marcus Ekholm via Wien
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[Wien] Associate Professor in Materials Modelling
Laurence Marks
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[Wien] About Phonon calculations
AJAY SINGH VERMA
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[Wien] fixed spin moment calculation in MSRa1 mode
kadda AMARA
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[Wien] contradictory band gap in case.scf and band.agr
Dr. K. C. Bhamu
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[Wien] About phonon calculation
AJAY SINGH VERMA
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[Wien] IRelast error in C_ana_elast_lapw
AJAY SINGH VERMA
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[Wien] Getting Identical Band Structure for Spin Up and Down When Turn On SOC
Xudong Huai
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[Wien] Error while running IRelast - calljob_lapw
AJAY SINGH VERMA