ABINIT Discussion Forums

Dear sunnyone
Read the lesson 3 in doc\tutorial
best regards

Souadkia Mourad
university 08 Mai 45 Guelma
Algiers
somourad@gmail.com

Dear ABINIT users :
please, share with me your experience in phonon –strain coupling ; any documents and Rev .
Thanks,
Best regards.

Dear Prof:
Thank you very much for your help .

Best regards.

Dear all,
I want to calculated elastic and vibrationall properties of sr s1-x ox alloys, I have not sure to using VCA for this compounds because high LO-TO spliting for SrS (100 cm-1) and SrO (260 cm-1) and high born effective charge, so I don’t know which condition for using VCA.
Thanks

Dear payam,
in your input file anaddb , add the number 1 in prtdos like this:

prtdos 1

best regards

hi, all Dear mutta and Prof: jzwanzig see this message : * Report this post * Reply with quote psuedopotential and ix Postby cheti2010 » Sun Apr 11, 2010 8:51 am Dear all: is it possible for example to used pseudopotential with LDA approximation (pspnc) and ixc with GGA (ixc=11) ? , on other hand, c...

Dear Igor Lukacevic
Thank you very much for your reply.
Best regards.
somourad

Dear all : In order to studied the phonon specter for SrO in B2 phase, we calculated static transition pressure, using the condition of equal enthalpy, the transition pressure obtained is p (t) =30 GPa, (expt =36 GPa), then we calculated phonon specter at 30, 40, 50, 60, 70 and 80 GPa for B2 phase, ...

thank you, all.

Hi Abinit user:
i would like to configure abinit with ifort, mkl and to optimize, so:
which commend to use in configure (example: ./configure..............)
Best regards

are you sure in dossier work, there is the two files trf2_1o_DS11_DDB and trf2_1o_DS12_DDB.
best regards

Thank you for reply this sir,

I corrected likke that and got an error like "blok 1 3 1 3" missed. so i am waiting for the valuable suggestions forom all


with regards
S.Appalakondaiah

Dear all:
what i do, to replace old version of abinit 8.4 a new version 6.0.3.
best regerds