Rom Hani

5 Questions 2 Answers 0 Followers

Questions related from Rom Hani

I used the following job script to submit my vasp job to metacentrum supercmputer, it did not work. I found errors, could you please figure out?

#!/bin/bash #PBS -N graphne #PBS -l select=1:ncpus=4:mem=12000mb:scratch_local=6000mb #PBS -l walltime=1:00:00 #PBS -j oe module add vasp/5.4.4 hostname cd...

12 March 2024 1,069 2 View

Dear Researchers, I got an error in siesta calculation which is pasted below. anybody who can figure out?

I was optimizing MoTe2 in siesta Package. Valence configuration for pseudopotential generation: Cannot get gen_zval Stopping Program from Node: 0 Cannot get gen_zval Stopping Program from...

07 May 2022 8,583 0 View

Dear all, i was optimizing Fe(100) surface in siesta package. The force is so large. Anybody who can figureout?

Max 51.361958 constrained Max 166.658314 constrained Max 62.424118 constrained Max 49.600014 constrained Max 95.853952 constrained Max 169.579737...

01 January 1970 1,115 2 View

Dear Researchers, I was calculating Transiesta and I found errors. Anybody who can figure out?

At line 362 of file /home/jemal/bin/siesta-4.1-b4/Src/basis_io.F (unit = 13) Fortran runtime error: Cannot open file 'Mo.ion': No such file or directory

01 January 1970 7,678 0 View

I used vasp job script and i found the following errors. could you figure out?

script #!/bin/bash #PBS -N graphene #PBS -l select=1:ncpus=16:mem=8gb:scratch_local=10gb #PBS -l walltime=1:00:00 #PBS -j oe module add vasp/6.4.2 hostname cd...

01 January 1970 1,282 0 View